1,2,2-Trimethyl-3-((phenylamino)carbonyl)cyclopentanecarboxylic acid
Basic information
- CAS
6629-01-2- Standard SMILES
CC1(C(=O)O)CCC(C(=O)Nc2ccccc2)C1(C)C- InChIKey
OUERZMHYXITZFA-UHFFFAOYSA-N- Molecular formula
- C16H21NO3
- Average molar mass
- 275.34 g/mol
- Monoisotopic mass
- 275.15214353
Names & identifiers
- Preferred name
- 1,2,2-Trimethyl-3-((phenylamino)carbonyl)cyclopentanecarboxylic acid
- IUPAC
- 1,2,2-trimethyl-3-(phenylcarbamoyl)cyclopentane-1-carboxylic acid
- English name
- 1,2,2-trimethyl-3-(phenylcarbamoyl)cyclopentane-1-carboxylic acid
- Molecular formula
- C16H21NO3
- Molecular weight
- 0
Names & synonyms
73889-61-91,2,2-Trimethyl-3-[(phenylamino)carbonyl]cyclopentanecarboxylic acid1,2,2-Trimethyl-3-((phenylamino)carbonyl)cyclopentanecarboxylic acidRefChem:10518731,2,2-trimethyl-3-(phenylcarbamoyl)cyclopentane-1-carboxylic acid6629-01-23-(anilinocarbonyl)-1,2,2-trimethylcyclopentanecarboxylic acidNSC 102701Cyclopentanecarboxylic acid, 3-(phenylaminocarbonyl)-1,2,2-trimethyl-.alpha.-D-Camphoranilic acid1,2,2-trimethyl-3-(N-phenylcarbamoyl)cyclopentanecarboxylic acid1,2,2-trimethyl-3-(phenylcarbamoyl)cyclopentanecarboxylic acid
Show more names
Nsc59796
1,2,2-Trimethyl-3-(anilinocarbonyl)cyclopentanecarboxylic acidNCIOpen2_007289Oprea1_795643MLS000058809CHEMBL1450471SCHEMBL13544624DTXSID20984838HMS2397B03
Database identifiers
- CAS
6629-01-2、73889-61-9- PubChem CID
- 98319
- DTXSID
DTXSID20984838- ChEMBL
CHEMBL1450471- Nikkaji
- J77.928H
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 399
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Related reactions
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Compound notes
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