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Molecule
1-Aminocyclopropane-1-Carboxylic Acid
CAS: 22059-21-8 · C4H7NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 22059-21-8
- Molecular Formula
- C4H7NO2
- Molecular Mass
- 101.10 g/mol
Identifiers
CAS Registry Number
22059-21-8
SMILES
NC1(C(=O)O)CC1
InChI Key
PAJPWUMXBYXFCZ-UHFFFAOYSA-N
InChI
InChI=1S/C4H7NO2/c5-4(1-2-4)3(6)7/h1-2,5H2,(H,6,7)
Names and Synonyms
- 1-Aminocyclopropane-1-Carboxylic Acid Systematic Name
- Cyclopropanecarboxylic acid, 1-amino- Synonym
- 1-Aminocyclopropanecarboxylic acid Synonym
- 1-Aminocyclopropane-1-carboxylate Synonym
- α-Aminocyclopropanecarboxylic acid Synonym
- 1-Aminocyclopropane-1-carboxylic acid Synonym
- ACC Synonym
- 1-Amino-1-carboxycyclopropane Synonym
- ACPC Synonym
- NSC 98430 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 101.10 g/mol | CAS Common Chemistry |
| 101.105 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/1-Aminocyclopropane-1-carboxylic_acid | CAS Common Chemistry |
| Canonical SMILES | O=C(O)C1(N)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C4H7NO2/c5-4(1-2-4)3(6)7/h1-2,5H2,(H,6,7) | CAS Common Chemistry |
| InChI Key | InChIKey=PAJPWUMXBYXFCZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 198-201 °C | CAS Common Chemistry |
| Name | 1-Aminocyclopropane-1-carboxylic acid | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 63.32000000000001 Ų | RDKit |
| 63.32 Ų | RDKit | |
| LogP | -0.4377000000000004 | RDKit |
| -0.4377 | RDKit | |
| Molar Refractivity | 23.788199999999996 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 101.047678464 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 101.10 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H7NO2.
