1,1-Cyclohexanediacetic acid monoamide

C₁₀H₁₇NO₃CAS 99189-60-3199.25 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₁₀H₁₇NO₃
Molar mass: 199.25 g/mol
Exact mass: 199.1208 Da
Melting point: 141–145 °C
logP: 2.34Crippen estimate
Polar surface area: 81.4 Å²
H-bond donors / acceptors: 3 / 2
Rotatable bonds: 4

Identifiers

CAS number

99189-60-3

SMILES

N=C(O)CC1(CC(=O)O)CCCCC1

InChIKey

QJGSJXLCJRXTRY-UHFFFAOYSA-N

InChI

InChI=1S/C10H17NO3/c11-8(12)6-10(7-9(13)14)4-2-1-3-5-10/h1-7H2,(H2,11,12)(H,13,14)

Weigh it out

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

Names and synonyms

9 names

Cyclohexaneacetic acid, 1-(2-amino-2-oxoethyl)-
Cyclohexaneacetic acid, 1-(carbamoylmethyl)-
1-(2-Amino-2-oxoethyl)cyclohexaneacetic acid
1-[(Aminocarbonyl)methyl]cyclohexaneacetic acid
1-(Carboxymethyl)cyclohexane-1-acetamide
[1-(2-Amino-2-oxoethyl)cyclohexyl]acetic acid
(1-Carbamoylmethyl-cyclohexyl)-acetic acid
2-[1-(Carbamoylmethyl)cyclohexyl]acetic acid
2-[1-(2-Amino-2-oxoethyl)cyclohexyl]acetic acid

Work with 1,1-Cyclohexanediacetic acid monoamide

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

Same formula

1,1-Dimethylethyl (2S)-2-formyl-1-pyrrolidinecarboxylate69610-41-9 tert-Butyl 4-oxopiperidine-1-carboxylate79099-07-3 tert-Butyl 2-oxopiperidine-1-carboxylate85908-96-9 1,1-Dimethylethyl 3-acetyl-1-azetidinecarboxylate870089-49-9

Elsewhere

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