Carbobenzoxyglycylglycine

C12H14N2O5CAS 2566-19-0266.25 g/mol

Open in Covalent MOL file
OOHNOHNOOH
AmideCarbamateCarboxylic acid

Properties

Molecular formula
C12H14N2O5
Molar mass
266.25 g/mol
Exact mass
266.0903 Da
logP
0.11Crippen estimate
Polar surface area
104.7 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
6

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
2566-19-0
SMILES
C1=CC=C(C=C1)COC(=O)NCC(=O)NCC(=O)O
InChIKey
VFRCXEHNAFUTQC-UHFFFAOYSA-N
InChI
InChI=1S/C12H14N2O5/c15-10(13-7-11(16)17)6-14-12(18)19-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,15)(H,14,18)(H,16,17)

Weigh it out

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

Names and synonyms

1 names
  • Cbz-gly-gly

Work with Carbobenzoxyglycylglycine

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-[(9H-Fluoren-9-ylmethoxy)carbonyl]glycylglycylglycylglycine1001202-16-963 % similar Fmoc-gly-gly-gly-oh170941-79-463 % similar Fmoc-gly-gly-oh35665-38-463 % similar 5-(Carbobenzoxyamino)valeric acid23135-50-461 % similar N-Hippurylglycine1145-32-057 % similar Benzyl N-(2-hydroxyethyl)carbamate77987-49-656 % similar N-Benzyloxycarbonylglycine thioamide49548-40-554 % similar Benzyl N-(3-hydroxypropyl)carbamate34637-22-452 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N2-[(Phenylmethoxy)carbonyl]-L-asparagine2304-96-3 Z-Dl-asparagine29880-22-6 N-(4-Aminobenzoyl)-L-glutamic acid4271-30-1

Elsewhere

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