1-N-Cbz-pyrrolidine-3-carboxylic acid

C₁₃H₁₅NO₄CAS 188527-21-1249.27 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₁₃H₁₅NO₄
Molar mass: 249.27 g/mol
Exact mass: 249.1001 Da
logP: 1.73Crippen estimate
Polar surface area: 66.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Identifiers

CAS number

188527-21-1

SMILES

C1CN(CC1C(=O)O)C(=O)OCC2=CC=CC=C2

InChIKey

JSASVUTVTRNJHA-UHFFFAOYSA-N

InChI

InChI=1S/C13H15NO4/c15-12(16)11-6-7-14(8-11)13(17)18-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,15,16)

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

Work with 1-N-Cbz-pyrrolidine-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

1-Benzyloxycarbonylazetidine-3-carboxylic acid97628-92-780 % similar (S)-1-Cbz-3-hydroxymethylpyrrolidine124391-76-064 % similar (S)-1-Cbz-3-aminopyrrolidine122536-72-563 % similar Phenylmethyl (3R)-3-amino-1-pyrrolidinecarboxylate122536-73-663 % similar Phenylmethyl 3-amino-1-pyrrolidinecarboxylate185057-50-563 % similar N-(Benzyloxycarbonyl)-4-hydroxypiperidine95798-23-562 % similar Benzyl 4-(chloroformyl)-1-piperidinecarboxylic acid10314-99-562 % similar (2S)-1-(Benzyloxycarbonyl)azetidine-2-carboxylic acid25654-52-862 % similar

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

Same formula

Benzyloxycarbonyl-L-proline1148-11-4 (5R)-5-(2,2-Dimethyl-4H-1,3-benzodioxin-6-yl)-1,3-oxazolidin-2-one452339-73-0 N-(Benzyloxycarbonyl)-D-proline6404-31-5

Elsewhere

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