chempirical

N-Benzyl-L-proline

C12H15NO2CAS 31795-93-4205.26 g/mol

Open in Covalent MOL file
NOOH
Carboxylic acidTertiary amine

Properties

Molecular formula
C12H15NO2
Molar mass
205.26 g/mol
Exact mass
205.1103 Da
logP
1.74Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

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
31795-93-4
SMILES
C1C[C@H](N(C1)CC2=CC=CC=C2)C(=O)O
InChIKey
XNROFTAJEGCDCT-NSHDSACASA-N
InChI
InChI=1S/C12H15NO2/c14-12(15)11-7-4-8-13(11)9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,14,15)/t11-/m0/s1

Weigh it out

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Work with N-Benzyl-L-proline

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

Benzyloxycarbonyl-L-proline1148-11-457 % similar N-(Benzyloxycarbonyl)-D-proline6404-31-557 % similar 1-(Phenylmethyl)-4-piperidinecarboxylic acid10315-07-856 % similar 1-Phenylpiperidine-2-carboxylic acid743422-75-556 % similar 1-Cbz-2-piperidinecarboxylic acid28697-07-652 % similar (D)-N-(Benzyloxycarbonyl)pipecolic acid28697-09-852 % similar 1-Carbobenzoxy-2-piperidinecarboxylic Acid71170-88-252 % similar [(2S)-1-Benzylpyrrolidin-2-yl]methanol53912-80-451 % similar

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

Same formula

N-Phenyl-isobutyloylacetamide124401-38-3 Methyl 4-pyrrolidin-1-ylbenzoate129414-26-2 1-Benzyl-2-(methoxycarbonyl)azetidine18085-37-5 4-Piperidin-1-yl-benzoic acid22090-24-0 3,4-Diethoxybenzeneacetonitrile27472-21-5 4-Phenyl-4-piperidinecarboxylic acid3627-45-0 4′-Morpholinoacetophenone39910-98-0 N-Benzyl-3-pyrrolidinecarboxylic acid5731-18-0

Elsewhere

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