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Molecule
Ornithine
CAS: 70-26-8 · C5H12N2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 70-26-8
- Molecular Formula
- C5H12N2O2
- Molecular Mass
- 132.16 g/mol
Identifiers
CAS Registry Number
70-26-8
SMILES
NCCC[C@H](N)C(=O)O
InChI Key
AHLPHDHHMVZTML-BYPYZUCNSA-N
InChI
InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1
Names and Synonyms
- Ornithine Common Name
- L-Ornithine Synonym
- Ornithine, L- Synonym
- Pentanoic acid, 2,5-diamino-, (S)- Synonym
- Ornithine Synonym
- L-(-)-Ornithine Synonym
- (S)-2,5-Diaminopentanoic acid Synonym
- (S)-Ornithine Synonym
- (S)-α,δ-Diaminovaleric acid Synonym
- (+)-S-Ornithine Synonym
- L-Norvaline, 5-amino- Synonym
- (2S)-2,5-Diaminopentanoic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 132.16 g/mol | CAS Common Chemistry |
| 132.163 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ornithine | CAS Common Chemistry |
| Canonical SMILES | O=C(O)C(N)CCCN | CAS Common Chemistry |
| InChI | InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=AHLPHDHHMVZTML-BYPYZUCNSA-N | CAS Common Chemistry |
| Melting Point | 140 °C | CAS Common Chemistry |
| Name | L-(-)-Ornithine | CAS Common Chemistry |
| Ornithine | CAS Common Chemistry | |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 89.34 Ų | RDKit |
| LogP | -0.8627999999999991 | RDKit |
| -0.8628 | RDKit | |
| Molar Refractivity | 33.89959999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 132.089877624 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
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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 = 132.16 g/mol. Edit any field — others recompute live.
