chempirical

N-Methyl-N-[(phenylmethoxy)carbonyl]-L-valine

C14H19NO4CAS 42417-65-2265.31 g/mol

Open in Covalent MOL file
OHONOO
CarbamateCarboxylic acid

Properties

Molecular formula
C14H19NO4
Molar mass
265.31 g/mol
Exact mass
265.1314 Da
Melting point
68.5–69 °C
logP
2.36Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
5
Stereocentres
Sin SMILES atom order

Hazards

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

Identifiers

CAS number
42417-65-2
SMILES
CC(C)[C@@H](C(=O)O)N(C)C(=O)OCc1ccccc1
InChIKey
NNEHOKZDWLJKHP-LBPRGKRZSA-N
InChI
InChI=1S/C14H19NO4/c1-10(2)12(13(16)17)15(3)14(18)19-9-11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3,(H,16,17)/t12-/m0/s1

Weigh it out

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

Names and synonyms

4 names
  • L-Valine, N-methyl-N-[(phenylmethoxy)carbonyl]-
  • N-(Benzyloxycarbonyl)-N-methyl-L-valine
  • N-(Benzyloxycarbonyl)-N-methylvaline
  • (S)-N-(Benzyloxycarbonyl)-N-methylvaline

Work with N-Methyl-N-[(phenylmethoxy)carbonyl]-L-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

Similar compounds

(S)-2-(((Benzyloxy)carbonyl)(methyl)amino)-2-cyclopentylacetic acid2411591-78-974 % similar Z-N-Me-ala-OH21691-41-873 % similar Cbz-N-methyl-L-phenylalanine2899-07-268 % similar N-Cbz-N-methyl-L-leucine33099-08-067 % similar Fmoc-N-methyl-D-valine103478-58-665 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-valine84000-11-365 % similar Fmoc-N-methyl-O-benzyl-L-threonine198561-81-859 % similar 1-Benzyloxycarbonylazetidine-3-carboxylic acid97628-92-756 % similar

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

Same formula

(S)-N-Boc-3-amino-3-phenylpropanoic acid103365-47-5 Boc-L-phenylalanine13734-34-4 β-[[(1,1-Dimethylethoxy)carbonyl]amino]benzenepropanoic acid14676-01-8 N-Carbobenzoxy-dl-norleucine15027-13-1 (R)-N-Boc-3-amino-3-phenylpropanoic acid161024-80-2 N-tert-Butoxycarbonyl-D-phenylalanine18942-49-9 Diacetyl-N-phenyldiethanolamine19249-34-4 N-(Benzyloxycarbonyl)-6-aminohexanoic acid1947-00-8

Elsewhere

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