N-(Benzyloxycarbonyl)-D-proline

C₁₃H₁₅NO₄CAS 6404-31-5249.27 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
Melting point: 76.5–77.5 °C
logP: 1.87Crippen estimate
Polar surface area: 66.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3
Stereocentres: Rin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed12.5% of notifiers
H315 Causes skin irritation87.5% of notifiers
H319 Causes serious eye irritation87.5% of notifiers
H332 Harmful if inhaled12.5% of notifiers
H335 May cause respiratory irritation87.5% of notifiers

Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

6404-31-5

SMILES

O=C(O)[C@H]1CCCN1C(=O)OCc1ccccc1

InChIKey

JXGVXCZADZNAMJ-LLVKDONJSA-N

InChI

InChI=1S/C13H15NO4/c15-12(16)11-7-4-8-14(11)13(17)18-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,15,16)/t11-/m1/s1

Weigh it out

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

Names and synonyms

14 names · show all

1,2-Pyrrolidinedicarboxylic acid, 1-(phenylmethyl) ester, (2R)-
1,2-Pyrrolidinedicarboxylic acid, 1-benzyl ester, D-
1,2-Pyrrolidinedicarboxylic acid, 1-(phenylmethyl) ester, (R)-
(Benzyloxycarbonyl)-D-proline
1-(Benzyloxycarbonyl)-D-proline
N-(Benzyloxycarbonyl)-(R)-proline
N-Carbobenzyloxy-D-proline
(2R)-1-(Benzyloxycarbonyl)pyrrolidine-2-carboxylic acid
(R)-1-(Benzyloxycarbonyl)pyrrolidine-2-carboxylic acid
D-Cbz-proline
(2R)-1-Phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
(2R)-1-[(Benzyloxy)carbonyl]pyrrolidine-2-carboxylic acid
(R)-N-BenzyloxycarbonyLproline
1-Benzyl hydrogen (R)-pyrrolidine-1,2-dicarboxylate

Work with N-(Benzyloxycarbonyl)-D-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

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.

Benzyloxycarbonyl-L-proline1148-11-4Enantiomer

Similar compounds

1-Cbz-2-piperidinecarboxylic acid28697-07-693 % similar (D)-N-(Benzyloxycarbonyl)pipecolic acid28697-09-893 % similar 1-Carbobenzoxy-2-piperidinecarboxylic Acid71170-88-293 % similar (2S)-1-(Benzyloxycarbonyl)azetidine-2-carboxylic acid25654-52-885 % similar (S)-1-N-Cbz-prolinamide34079-31-770 % similar (3S)-2-Carbobenzoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid79261-58-867 % similar (Benzyloxycarbonyl)glycyl-L-proline1160-54-965 % similar (2R)-1-((9H-Fluoren-9-ylmethoxy)carbonyl)pyrrolidine-2-carboxylic acid101555-62-864 % similar

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

Same formula

1-N-Cbz-pyrrolidine-3-carboxylic acid188527-21-1 (5R)-5-(2,2-Dimethyl-4H-1,3-benzodioxin-6-yl)-1,3-oxazolidin-2-one452339-73-0 Methyl 1-cbz-azetidine-3-carboxylate757239-60-4

Elsewhere

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