3-Amino-1-benzylpyrrolidine-3-carboxylic acid

C₁₂H₁₆N₂O₂CAS 145602-87-5220.27 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine Tertiary amine

Properties

Molecular formula: C₁₂H₁₆N₂O₂
Molar mass: 220.27 g/mol
Exact mass: 220.1212 Da
logP: 0.67Crippen estimate
Polar surface area: 66.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3

Identifiers

CAS number

145602-87-5

SMILES

C1CN(CC1(C(=O)O)N)CC2=CC=CC=C2

InChIKey

IXBOFOMZFVXPTF-UHFFFAOYSA-N

InChI

InChI=1S/C12H16N2O2/c13-12(11(15)16)6-7-14(9-12)8-10-4-2-1-3-5-10/h1-5H,6-9,13H2,(H,15,16)

Weigh it out

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

Work with 3-Amino-1-benzylpyrrolidine-3-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

N-(Carboxymethyl)-N-(phenylmethyl)glycine3987-53-945 % similar 1-Benzyl-3,3-dimethylpiperidin-4-one173186-91-945 % similar 1-(Phenylmethyl)-4-piperidinecarboxylic acid10315-07-843 % similar 1-Aminocyclopropane-1-carboxylic acid22059-21-843 % similar 1-Benzyl-4-piperidone3612-20-243 % similar Dl-α-methylphenylalanine1132-26-942 % similar α-Methyl-D-phenylalanine17350-84-442 % similar 8-(Phenylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione28936-94-942 % similar

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

Same formula

(S)-1-Cbz-3-aminopyrrolidine122536-72-5 Phenylmethyl (3R)-3-amino-1-pyrrolidinecarboxylate122536-73-6 Phenylmethyl 3-amino-1-pyrrolidinecarboxylate185057-50-5 3-(4-Methyl-1-piperazinyl)benzoic acid215309-01-6 1-Piperonylpiperazine32231-06-4 1-Acetyl-4-(4-hydroxyphenyl)piperazine67914-60-7 1-[4-(3-Hydroxyphenyl)-1-piperazinyl]ethanone67915-02-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook