N-(Benzyloxycarbonyl)-DL-valine

C₁₃H₁₇NO₄CAS 3588-63-4251.28 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₁₃H₁₇NO₄
Molar mass: 251.28 g/mol
Exact mass: 251.1158 Da
Melting point: 72–73 °C
logP: 2.23Crippen estimate
Polar surface area: 79.1 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 5

Hazards

Danger

H315 Causes skin irritation98.3% of notifiers
H317 May cause an allergic skin reaction27.6% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled69% of notifiers

Aggregated from 58 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P264, P271, P272, P280, P284, P302+P352, P304+P340, P321, P332+P317, P333+P317, P342+P316, P362+P364, P403, P501

Identifiers

CAS number

3588-63-4

SMILES

CC(C)C(N=C(O)OCc1ccccc1)C(=O)O

InChIKey

CANZBRDGRHNSGZ-UHFFFAOYSA-N

InChI

InChI=1S/C13H17NO4/c1-9(2)11(12(15)16)14-13(17)18-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,14,17)(H,15,16)

Weigh it out

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

Names and synonyms

13 names · show all

Valine, N-[(phenylmethoxy)carbonyl]-
Valine, N-carboxy-, N-benzyl ester, DL-
DL-Valine, N-[(phenylmethoxy)carbonyl]-
N-[(Phenylmethoxy)carbonyl]valine
N-Carbobenzoxy-DL-valine
N-Carbobenzyloxy-DL-valine
NSC 33501
DL-cbz-valine
DL-Cbz valine
2-(((Benzyloxy)carbonyl)amino)-3-methylbutanoicacid
3-Methyl-2-(phenylmethoxycarbonylamino)butanoic acid
2-[[(Benzyloxy)carbonyl]amino]-3-methylbutanoic acid
N-Carbobenzoyl-DL-valine

Work with N-(Benzyloxycarbonyl)-DL-valine

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-valine1149-26-4Defined stereoisomer Cbz-D-valine1685-33-2Defined stereoisomer

Similar compounds

Z-Thr-OH19728-63-377 % similar N-[(Phenylmethoxy)carbonyl]-L-isoleucine3160-59-674 % similar N-Carbobenzyloxyalanine1142-20-772 % similar N-(Benzyloxycarbonyl)-DL-alanine4132-86-972 % similar (αS)-α-[[(Phenylmethoxy)carbonyl]amino]cyclohexaneacetic acid69901-75-370 % similar Benzyloxycarbonyl-L-leucine2018-66-866 % similar (2S)-2-(((Phenylmethoxy)carbonyl)amino)butanoic acid42918-86-565 % similar N-Benzyloxycarbonyl-L-valine N-hydroxysuccinimide ester3496-11-565 % similar

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

Same formula

5-Ethylpyridine-2,3-dicarboxylic acid diethyl ester105151-39-1 Boc-3-aminomethylbenzoic acid117445-22-4 Dipropyl isocinchomeronate136-45-8 N-((Phenylmethoxy)carbonyl)norvaline21691-43-0 (S)-2-(((Benzyloxy)carbonyl)amino)pentanoic acid21691-44-1 5-(Carbobenzoxyamino)valeric acid23135-50-4

Elsewhere

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