Cbz-D-valine

C₁₃H₁₇NO₄CAS 1685-33-2251.28 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₁₃H₁₇NO₄
Molar mass: 251.28 g/mol
Exact mass: 251.1158 Da
logP: 2.02Crippen estimate
Polar surface area: 75.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 5
Stereocentres: Rin SMILES atom order

Hazards

Not classified as hazardous under GHS. Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number

1685-33-2

SMILES

CC(C)[C@H](C(=O)O)NC(=O)OCC1=CC=CC=C1

InChIKey

CANZBRDGRHNSGZ-LLVKDONJSA-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)/t11-/m1/s1

Weigh it out

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

Names and synonyms

1 names

N-Alpha-Benzyloxycarbonyl-D-valine

Work with Cbz-D-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-valine1149-26-4Enantiomer N-(Benzyloxycarbonyl)-DL-valine3588-63-4Stereo not defined

Similar compounds

Z-D-Thr-oh80384-27-677 % similar Z-Thr(bzl)-oh69863-36-176 % similar N-Cbz-D-alanine26607-51-272 % similar N-Cbz-D-leucine28862-79-566 % similar N-Carbobenzoxy-dl-leucine3588-60-166 % similar Z-Phg-oh53990-33-366 % similar 2-(((Benzyloxy)carbonyl)amino)-2-hydroxyacetic acid56538-57-966 % similar Fmoc-D-valine84624-17-965 % 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 Alibendol26750-81-2

Elsewhere

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