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Molecule
Carbidopa
CAS: 28860-95-9 · C10H14N2O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 28860-95-9
- Molecular Formula
- C10H14N2O4
- Molecular Mass
- 226.23 g/mol
Identifiers
CAS Registry Number
28860-95-9
SMILES
C[C@@](Cc1ccc(O)c(O)c1)(NN)C(=O)O
InChI Key
TZFNLOMSOLWIDK-JTQLQIEISA-N
InChI
InChI=1S/C10H14N2O4/c1-10(12-11,9(15)16)5-6-2-3-7(13)8(14)4-6/h2-4,12-14H,5,11H2,1H3,(H,15,16)/t10-/m0/s1
Names and Synonyms
- Carbidopa Common Name
- Benzenepropanoic acid, α-hydrazino-3,4-dihydroxy-α-methyl-, (S)- Synonym
- Benzenepropanoic acid, α-hydrazino-3,4-dihydroxy-α-methyl-, (αS)- Synonym
- (αS)-α-Hydrazinyl-3,4-dihydroxy-α-methylbenzenepropanoic acid Synonym
- L-α-Hydrazino-α-methyl-β-(3,4-dihydroxyphenyl)propionic acid Synonym
- MK 486 Synonym
- L-3-(3,4-Dihydroxyphenyl)-2-methyl-2-hydrazinopropionic acid Synonym
- L-α-Methyl-α-hydrazino-β-(3,4-dihydroxyphenyl)propionic acid Synonym
- L-α-Methyl-β-(3,4-dihydroxyphenyl)-α-hydrazinopropionic acid Synonym
- L-α-Methyldopahydrazine Synonym
- Carbidopa Synonym
- (-)-L-α-Hydrazino-3,4-dihydroxy-α-methylhydrocinnamic acid monohydrate Synonym
- L-α-(3,4-Dihydroxybenzyl)-α-hydrazinopropionic acid Synonym
- 1-α-(3,4-Dihydroxybenzyl)-α-hydrazinopropionic acid Synonym
- (-)-L-α-Hydrazino-3,4-dihydroxy-α-methylhydrocinamic acid Synonym
- α-Hydrazino-α-methyl-β-(3,4-dihydroxyphenyl)propionic acid Synonym
- α-Methyldopahydrazine Synonym
- Hydrazino-α-methyldopa Synonym
- L-α-Hydrazino-α-methyl-3,4-dihydroxyphenylpropionic acid Synonym
- L-α-Methyl-α-hydrazino-3,4-dihydroxyphenylpropionic acid Synonym
- N-Aminomethyldopa Synonym
- L-α-Hydrazino-3,4-dihydroxy-α-methylbenzenepropanoic acid Synonym
- Lodosyn Synonym
- HMD Synonym
- Lodosin Synonym
- (S)-Carbidopa Synonym
- L-Carbidopa Synonym
- (2S)-2-(Aminoazaniumyl)-3-(3,4-dihydroxyphenyl)-2-methylpropanoate Synonym
- (2S)-3-(3,4-Dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid Synonym
- Cabidopa Synonym
- Benzenepropanoic acid, α-hydrazinyl-3,4-dihydroxy-α-methyl-, (αS)- Synonym
- Hydrocinnamic acid, α-hydrazino-3,4-dihydroxy-α-methyl-, L- Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 226.23 g/mol | CAS Common Chemistry |
| 226.232 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(NN)(C)CC1=CC=C(O)C(O)=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H14N2O4/c1-10(12-11,9(15)16)5-6-2-3-7(13)8(14)4-6/h2-4,12-14H,5,11H2,1H3,(H,15,16)/t10-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=TZFNLOMSOLWIDK-JTQLQIEISA-N | CAS Common Chemistry |
| Melting Point | 208 °C | CAS Common Chemistry |
| Name | Carbidopa | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 115.81000000000002 Ų | RDKit |
| 115.81 Ų | RDKit | |
| LogP | -0.05310000000000015 | RDKit |
| -0.0531 | RDKit | |
| Molar Refractivity | 56.839500000000015 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3 | RDKit |
| Exact Mass | 226.095356928 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 226.23 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H14N2O4.
