chempirical

(R)-(((Phenylmethoxy)carbonyl)amino)phenylacetic acid

C16H15NO4CAS 17609-52-8285.30 g/mol

Open in Covalent MOL file
OOHNHOO
CarbamateCarboxylic acid

Properties

Molecular formula
C16H15NO4
Molar mass
285.30 g/mol
Exact mass
285.1001 Da
Melting point
127–128 °C
logP
2.94Crippen estimate
Polar surface area
79.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
5
Stereocentres
Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number
17609-52-8
SMILES
O=C(O)[C@H](N=C(O)OCc1ccccc1)c1ccccc1
InChIKey
RLDJWBVOZVJJOS-CQSZACIVSA-N
InChI
InChI=1S/C16H15NO4/c18-15(19)14(13-9-5-2-6-10-13)17-16(20)21-11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,17,20)(H,18,19)/t14-/m1/s1

Weigh it out

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

Names and synonyms

16 names · show all
  • Benzyloxycarbonyl-D-phenylglycine
  • Benzeneacetic acid, α-[[(phenylmethoxy)carbonyl]amino]-, (αR)-
  • Glycine, N-carboxy-2-phenyl-, N-benzyl ester, D-
  • Benzeneacetic acid, α-[[(phenylmethoxy)carbonyl]amino]-, (R)-
  • (αR)-α-[[(Phenylmethoxy)carbonyl]amino]benzeneacetic acid
  • N-Carbobenzoxy-D-phenylglycine
  • N-Carbobenzyloxy-D-phenylglycine
  • N-(Carbobenzoxy)-(R)-phenylglycine
  • N-Benzyloxycarbonyl-D-phenylglycine
  • N-Benzyloxycarbonyl-D-α-phenylglycine
  • Cbz-D-phg-OH
  • D-Cbz phenylglycine
  • (R)-2-(((Benzyloxy)carbonyl)amino)-2-phenylacetic acid
  • (R)-2-(((Benzyloxy)carbonyl)amino)-2-phenylaceticacid
  • (2R)-2-Phenyl-2-(phenylmethoxycarbonylamino)acetic acid
  • (2R)-2-[[(Benzyloxy)carbonyl]amino]-2-phenylacetic acid

Work with (R)-(((Phenylmethoxy)carbonyl)amino)phenylacetic acid

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.

Z-Phg-oh53990-33-3Enantiomer

Similar compounds

N-Carbobenzyloxyalanine1142-20-767 % similar Benzyloxycarbonyl-L-phenylalanine1161-13-367 % similar N-(Benzyloxycarbonyl)-D-phenylalanine2448-45-567 % similar N-(Benzyloxycarbonyl)-dl-phenylalanine3588-57-667 % similar N-(Benzyloxycarbonyl)-DL-alanine4132-86-967 % similar N-(Benzyloxycarbonyl)-L-serine1145-80-866 % similar N-Benzyloxycarbonyl-DL-serine2768-56-166 % similar Benzyloxycarbonyl-L-valine1149-26-464 % similar

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

Same formula

(2R,3S)-N-Benzoyl-3-phenylisoserine132201-33-3 Coumarin 34355804-65-4 trans-3-Benzyloxy-4-methoxy-beta-nitrostyrene63909-29-5 4-Benzyloxy-3-methoxy-omega-nitrostyrene63909-38-6 Dihydroavenanthramide D697235-49-7

Elsewhere

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