chempirical

N5-[(Phenylmethoxy)carbonyl]-L-ornithine

C13H18N2O4CAS 3304-51-6266.30 g/mol

Open in Covalent MOL file
H2NNHOOOHO
Carboxylic acidPrimary amine

Properties

Molecular formula
C13H18N2O4
Molar mass
266.30 g/mol
Exact mass
266.1267 Da
Melting point
254 °C
logP
1.31Crippen estimate
Polar surface area
105.1 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
7
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
3304-51-6
SMILES
N[C@@H](CCCN=C(O)OCc1ccccc1)C(=O)O
InChIKey
VULSXQYFUHKBAN-NSHDSACASA-N
InChI
InChI=1S/C13H18N2O4/c14-11(12(16)17)7-4-8-15-13(18)19-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,14H2,(H,15,18)(H,16,17)/t11-/m0/s1

Weigh it out

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

Names and synonyms

11 names
  • L-Ornithine, N5-[(phenylmethoxy)carbonyl]-
  • Ornithine, N5-carboxy-, N5-benzyl ester, L-
  • Ornithine, N5-carboxy-, N-benzyl ester
  • L-Ornithine, N5-carboxy-, N-benzyl ester
  • δ-N-Benzyloxycarbonyl-L-ornithine
  • N5-Carboxyornithine N5-benzyl ester
  • Nδ-Benzyloxycarbonyl-L-ornithine
  • N5-(Benzyloxycarbonyl)ornithine
  • (S)-2-Amino-5-(phenylmethoxycarbonylamino)pentanoic acid
  • N-δ-Cbz-L-ornithine
  • (2S)-2-Amino-5-[[(benzyloxy)carbonyl]amino]pentanoic acid

Work with N5-[(Phenylmethoxy)carbonyl]-L-ornithine

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

ε-(Benzyloxycarbonyl)-L-lysine1155-64-293 % similar N6-Carbobenzoxy-L-lysine benzyl ester hydrochloride6366-70-769 % similar N2,N6-Bis[(phenylmethoxy)carbonyl]-L-lysine405-39-067 % similar (2S)-2-Hydroxy-4-[[(phenylmethoxy)carbonyl]amino]butanoic acid40371-50-465 % similar ε-(N-Benzyloxycarbonyl)-L-lysine methyl ester hydrochloride27894-50-464 % similar N′-Fmoc-L-lysine84624-28-262 % similar N2-[(1,1-Dimethylethoxy)carbonyl]-N5-[(phenylmethoxy)carbonyl]-D-ornithine16937-92-161 % similar γ-Benzyl L-glutamate1676-73-961 % similar

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

Same formula

Boc-3-(3-pyridyl)-L-alanine117142-26-4 Diethyl bis(2-cyanoethyl)malonate1444-05-9 Musk tibetene145-39-1 (αR)-α-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-pyridinepropanoic acid98266-33-2

Elsewhere

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