1,1-Cyclohexanediacetic acid monoamide

C10H17NO3CAS 99189-60-3199.25 g/mol

Open in Covalent MOL file
NH2OOHO
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 Ų
H-bond donors / acceptors
3 / 2
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 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
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

Similar compounds

Cyclohexanediacetic acid4355-11-774 % similar 1,1-Cyclopentanediacetic acid16713-66-970 % similar Gabapentin60142-96-358 % similar 1-(Mercaptomethyl)cyclopropaneacetic acid162515-68-644 % similar Succinamic acid638-32-444 % similar 1-Cyanocyclohexaneacetic acid133481-09-143 % similar Ada (buffer)26239-55-440 % similar 1-Adamantaneacetic acid4942-47-640 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

tert-Butyl (R)-3-formylpyrrolidine-1-carboxylate191347-94-1 (S)-tert-Butyl 3-formylpyrrolidine-1-carboxylate191348-04-6 (+-)-1-(tert-Butoxycarbonyl)pyrrolidine-3-carboxaldehyde59379-02-1 1,1-Dimethylethyl (2S)-2-formyl-1-pyrrolidinecarboxylate69610-41-9 N-(tert-Butoxycarbonyl)-D-prolinal73365-02-3 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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