chempirical

N-[(Phenylmethoxy)carbonyl]-L-serine methyl ester

C12H15NO5CAS 1676-81-9253.25 g/mol

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OOHONHOO
AlcoholEster

Properties

Molecular formula
C12H15NO5
Molar mass
253.25 g/mol
Exact mass
253.0950 Da
Melting point
85–87 °C
logP
0.65Crippen estimate
Polar surface area
88.3 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
5
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
1676-81-9
SMILES
COC(=O)[C@H](CO)N=C(O)OCc1ccccc1
InChIKey
CINAUOAOVQPWIB-JTQLQIEISA-N
InChI
InChI=1S/C12H15NO5/c1-17-11(15)10(7-14)13-12(16)18-8-9-5-3-2-4-6-9/h2-6,10,14H,7-8H2,1H3,(H,13,16)/t10-/m0/s1

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Names and synonyms

12 names
  • L-Serine, N-[(phenylmethoxy)carbonyl]-, methyl ester
  • Serine, N-carboxy-, N-benzyl methyl ester, L-
  • Serine, N-carboxy-, N-benzyl methyl ester
  • (Benzyloxycarbonyl)-L-serine methyl ester
  • N-Carbobenzoxy-L-serine methyl ester
  • N-(Benzyloxycarbonyl)serine methyl ester
  • N-(Benzyloxycarbonyl)-L-serine methyl ester
  • Methyl N-(benzyloxycarbonyl)-L-serinate
  • Methyl (S)-2-((benzyloxycarbonyl)amino)-3-hydroxypropanoate
  • Methyl (2S)-2-[(benzyloxycarbonyl)amino]-3-hydroxypropanoate
  • (2S)-2-[(Benzyloxycarbonyl)amino]-3-hydroxypropionic acid methyl ester
  • N-Cbz-L-serine methyl ester

Work with N-[(Phenylmethoxy)carbonyl]-L-serine methyl ester

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

N-[(Phenylmethoxy)carbonyl]-L-tyrosine methyl ester13512-31-771 % similar N-(Benzyloxycarbonyl)-L-serine1145-80-870 % similar N-Benzyloxycarbonyl-dl-serine2768-56-170 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-serine phenylmethyl ester73724-46-663 % similar (2S)-2-[[(Phenylmethoxy)carbonyl]amino]butanoic acid42918-86-558 % similar Benzyloxycarbonyl-L-phenylalanine1161-13-357 % similar N-(Benzyloxycarbonyl)-D-phenylalanine2448-45-557 % similar N-(Benzyloxycarbonyl)-dl-phenylalanine3588-57-657 % similar

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

Same formula

(S)-2-(((Benzyloxy)carbonyl)amino)-3-hydroxy-2-methylpropanoic acid114396-70-2 Z-Thr-oh19728-63-3 (2S)-2-Hydroxy-4-[[(phenylmethoxy)carbonyl]amino]butanoic acid40371-50-4

Elsewhere

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