(4-N-(Benzhydryloxycarbonyl)cytosine)-1-acetic acid

C₂₀H₁₇N₃O₅CAS 186046-78-6379.37 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₂₀H₁₇N₃O₅
Molar mass: 379.37 g/mol
Exact mass: 379.1168 Da
logP: 2.67Crippen estimate
Polar surface area: 110.5 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 6

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

186046-78-6

SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)NC3=NC(=O)N(C=C3)CC(=O)O

InChIKey

VPWKJWIKZUONJA-UHFFFAOYSA-N

InChI

InChI=1S/C20H17N3O5/c24-17(25)13-23-12-11-16(21-19(23)26)22-20(27)28-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-12,18H,13H2,(H,24,25)(H,21,22,26,27)

Weigh it out

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

Names and synonyms

1 names

2-(4-(((Benzhydryloxy)carbonyl)amino)-2-oxopyrimidin-1(2H)-yl)acetic acid

Work with (4-N-(Benzhydryloxycarbonyl)cytosine)-1-acetic 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

Similar compounds

2-(4-((tert-Butoxycarbonyl)amino)-2-oxopyrimidin-1(2H)-yl)acetic acid172405-16-263 % similar N-[2-[4-[[(Diphenylmethoxy)carbonyl]amino]-2-oxo-1(2H)-pyrimidinyl]acetyl]-N-[2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]ethyl]glycine186046-81-141 % similar 1H-Indole-1-acetic acid24297-59-438 % similar Benzoimidazol-1-yl-acetic acid40332-16-936 % similar N4-Benzoyl-2'-O-methylcytidine52571-45-634 % similar (+)-3-Amino-3-phenylpropanoic acid13921-90-934 % similar (-)-3-Amino-3-phenylpropanoic acid40856-44-834 % similar DL-β-Phenylalanine614-19-734 % similar

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

Same formula

Disperse blue 6012217-80-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook