chempirical

3-Pyrrolidinecarboxylic acid

C5H9NO2CAS 59378-87-9115.13 g/mol

Open in Covalent MOL file
NHOHO
Carboxylic acidSecondary amine

Properties

Molecular formula
C5H9NO2
Molar mass
115.13 g/mol
Exact mass
115.0633 Da
logP
-0.32Crippen estimate
Polar surface area
49.3 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
59378-87-9
SMILES
C1CNCC1C(=O)O
InChIKey
JAEIBKXSIXOLOL-UHFFFAOYSA-N
InChI
InChI=1S/C5H9NO2/c7-5(8)4-1-2-6-3-4/h4,6H,1-3H2,(H,7,8)

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 3-Pyrrolidinecarboxylic 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(3R)-3-Pyrrolidinecarboxylic acid72580-54-2Defined stereoisomer (S)-Pyrrolidine-3-carboxylic acid72580-53-1Defined stereoisomer

Similar compounds

(-)-Nipecotic acid25137-00-277 % similar Nipecotic acid498-95-377 % similar (S)-(+)-Nipecotic acid59045-82-877 % similar Nipecotic acid60252-41-777 % similar Isonipecotic acid498-94-275 % similar 3-Azetidinecarboxylic acid36476-78-567 % similar 4-Piperidinecarboxylic acid, hydrochloride (1:1)5984-56-567 % similar 1,4-Cyclohexanedicarboxylic acid1076-97-761 % 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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