Z-D-Nva-oh

C13H17NO4CAS 42918-89-8251.28 g/mol

Open in Covalent MOL file
OOHNHOO
CarbamateCarboxylic acid

Properties

Molecular formula
C13H17NO4
Molar mass
251.28 g/mol
Exact mass
251.1158 Da
logP
2.17Crippen estimate
Polar surface area
75.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
6
Stereocentres
Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
42918-89-8
SMILES
CCC[C@H](C(=O)O)NC(=O)OCC1=CC=CC=C1
InChIKey
NSJDRLWFFAWSFP-LLVKDONJSA-N
InChI
InChI=1S/C13H17NO4/c1-2-6-11(12(15)16)14-13(17)18-9-10-7-4-3-5-8-10/h3-5,7-8,11H,2,6,9H2,1H3,(H,14,17)(H,15,16)/t11-/m1/s1

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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.

(S)-2-(((Benzyloxy)carbonyl)amino)pentanoic acid21691-44-1Enantiomer N-((Phenylmethoxy)carbonyl)norvaline21691-43-0Stereo not defined

Similar compounds

N-Carbobenzoxy-dl-norleucine15027-13-186 % similar Z-D-Glu-oh63648-73-772 % similar N-Cbz-D-serine6081-61-471 % similar Z-D-Gln-oh13139-52-171 % similar N-Alpha-Benzyloxycarbonyl-L-ornithine2640-58-671 % similar N-Cbz-D-leucine28862-79-570 % similar N-Carbobenzoxy-dl-leucine3588-60-170 % similar Z-D-Glu(ome)-oh27025-24-770 % 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 Benzyloxycarbonyl-L-valine1149-26-4 Boc-3-aminomethylbenzoic acid117445-22-4 Dipropyl isocinchomeronate136-45-8 Cbz-D-valine1685-33-2 5-(Carbobenzoxyamino)valeric acid23135-50-4

Elsewhere

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