chempirical

3-Aminocyclobutane-1-carboxylic acid

C5H9NO2CAS 74316-27-1115.13 g/mol

Open in Covalent MOL file
H2NOOH
Carboxylic acidPrimary amine

Properties

Molecular formula
C5H9NO2
Molar mass
115.13 g/mol
Exact mass
115.0633 Da
logP
-0.19Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
74316-27-1
SMILES
C1C(CC1N)C(=O)O
InChIKey
YRGRLZXBOJQQDP-UHFFFAOYSA-N
InChI
InChI=1S/C5H9NO2/c6-4-1-3(2-4)5(7)8/h3-4H,1-2,6H2,(H,7,8)

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Names and synonyms

1 names
  • cis-3-Aminocyclobutanecarboxylic acid

Work with 3-Aminocyclobutane-1-carboxylic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(1S,3R)-3-Aminocyclopentanecarboxylic acid71830-07-472 % similar (1R,3S)-3-Aminocyclopentanecarboxylic acid71830-08-572 % similar 3-Aminocyclopentanecarboxylic acid89614-96-072 % similar 3-Aminocyclohexanecarboxylic acid25912-50-967 % similar rac-(1R,3S)-3-Aminocyclohexane-1-carboxylic acid81131-40-067 % similar 4-Aminocyclohexanecarboxylic acid1776-53-064 % similar cis-4-Aminocyclohexanecarboxylic acid3685-23-264 % similar trans-4-Aminocyclohexanecarboxylic acid3685-25-464 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

N-Methyldiacetamide1113-68-4 1-(3-Hydroxy-1-azetidinyl)ethanone118972-96-6 Methyl 3-amino-2-butenoate14205-39-1 Proline147-85-3 N-(Hydroxymethyl)-2-pyrrolidone15438-71-8 s-Allylglycine16338-48-0 (5S)-5-(Hydroxymethyl)-2-pyrrolidinone17342-08-4 N-Methylacetoacetamide20306-75-6

Elsewhere

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