2-((tert-Butoxycarbonyl)amino)-3-ethoxy-3-oxopropanoic acid

C₁₀H₁₇NO₆CAS 137401-45-7247.25 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Ester

Properties

Molecular formula: C₁₀H₁₇NO₆
Molar mass: 247.25 g/mol
Exact mass: 247.1056 Da
logP: 0.53Crippen estimate
Polar surface area: 101.9 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 4

Identifiers

CAS number

137401-45-7

SMILES

CCOC(=O)C(C(=O)O)NC(=O)OC(C)(C)C

InChIKey

JLNKUZUBBRTYOA-UHFFFAOYSA-N

InChI

InChI=1S/C10H17NO6/c1-5-16-8(14)6(7(12)13)11-9(15)17-10(2,3)4/h6H,5H2,1-4H3,(H,11,15)(H,12,13)

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Names and synonyms

1 names

2-(N-Boc-amino)malonic acid monoethyl ester

Work with 2-((tert-Butoxycarbonyl)amino)-3-ethoxy-3-oxopropanoic 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

(1r,3r)-3-(((tert-Butoxy)carbonyl)amino)cyclobutane-1-carboxylic acid1008773-79-253 % similar (S)-tert-Butoxycarbonylamino-cyclopropyl-acetic acid155976-13-953 % similar Boc-D-alpha-T-butylglycine124655-17-052 % similar (R)-2-((tert-Butoxycarbonyl)amino)-4,4-dimethylpentanoic acid112695-98-452 % similar Boc-L-aspartic acid 4-tert-butyl ester1676-90-052 % similar (R)-tert-Butyl (2-oxooxetan-3-yl)carbamate126330-77-651 % similar Boc-L-cyclopentylglycine109183-72-451 % similar N-Boc-(S)-2-amino-3-hydroxy-3-methylbutanoic acid102507-13-150 % similar

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

Same formula

Boc-L-glutamic acid2419-94-5

Elsewhere

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