(S)-1-N-Cbz-prolinamide

C₁₃H₁₆N₂O₃CAS 34079-31-7248.28 g/mol

Open in Covalent MOL file

Amide Carbamate

Properties

Molecular formula: C₁₃H₁₆N₂O₃
Molar mass: 248.28 g/mol
Exact mass: 248.1161 Da
logP: 1.27Crippen estimate
Polar surface area: 72.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

34079-31-7

SMILES

C1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)C(=O)N

InChIKey

ZCGHEBMEQXMRQL-NSHDSACASA-N

InChI

InChI=1S/C13H16N2O3/c14-12(16)11-7-4-8-15(11)13(17)18-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H2,14,16)/t11-/m0/s1

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Names and synonyms

1 names

Z-Pro-nh2

Work with (S)-1-N-Cbz-prolinamide

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-proline1148-11-470 % similar N-(Benzyloxycarbonyl)-D-proline6404-31-570 % similar 1-Cbz-2-piperidinecarboxylic acid28697-07-665 % similar (D)-N-(Benzyloxycarbonyl)pipecolic acid28697-09-865 % similar (S)-2-(Aminomethyl)-1-cbz-pyrrolidine119020-03-064 % similar 2-(1,1-Dimethylethyl) 1-(phenylmethyl) (2S)-1,2-pyrrolidinedicarboxylate16881-39-363 % similar (2S)-1-(Benzyloxycarbonyl)azetidine-2-carboxylic acid25654-52-858 % similar Phenylmethyl 3-(aminomethyl)-1-piperidinecarboxylate315717-76-155 % similar

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

Same formula

(S)-1,4-Benzodioxan-2-carboxypiperazine401941-54-6 1-[(2,3-Dihydro-1,4-benzodioxin-2-yl)carbonyl]piperazine70918-00-2

Elsewhere

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