chempirical

2-(4-((tert-Butoxycarbonyl)amino)-2-oxopyrimidin-1(2H)-yl)acetic acid

C11H15N3O5CAS 172405-16-2269.26 g/mol

Open in Covalent MOL file
OOHNNONOOH
CarbamateCarboxylic acid

Properties

Molecular formula
C11H15N3O5
Molar mass
269.26 g/mol
Exact mass
269.1012 Da
logP
0.67Crippen estimate
Polar surface area
110.5 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
3

Identifiers

CAS number
172405-16-2
SMILES
CC(C)(C)OC(=O)NC1=NC(=O)N(C=C1)CC(=O)O
InChIKey
GDZBCKTYQSHPDJ-UHFFFAOYSA-N
InChI
InChI=1S/C11H15N3O5/c1-11(2,3)19-10(18)13-7-4-5-14(6-8(15)16)9(17)12-7/h4-5H,6H2,1-3H3,(H,15,16)(H,12,13,17,18)

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Names and synonyms

1 names
  • N4-Boc-cytosin-1-yl acetic acid

Work with 2-(4-((tert-Butoxycarbonyl)amino)-2-oxopyrimidin-1(2H)-yl)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

(4-N-(Benzhydryloxycarbonyl)cytosine)-1-acetic acid186046-78-663 % similar N2-Boc-guanine-9-acetic acid1028077-12-452 % similar tert-Butyl [5-(hydroxymethyl)pyridin-2-yl)carbamate169280-83-543 % similar tert-Butyl [(5-(aminomethyl)pyridin-2-yl]carbamate187237-37-241 % similar 2-(Boc-amino)-5-bromopyridine159451-66-840 % similar (S)-N-Boc-3-amino-3-phenylpropanoic acid103365-47-540 % similar (R)-N-Boc-3-amino-3-phenylpropanoic acid161024-80-240 % similar Boc-(S)-3-amino-4-(4-pyridyl)-butyric acid219297-13-940 % similar

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

Elsewhere

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