Basic information
- CAS
577999-29-2- Standard SMILES
COc1ccc(NC(=O)CC2(CC(=O)O)CCCC2)cc1- InChIKey
RAABXFLZCOCXHQ-UHFFFAOYSA-N- Molecular formula
- C16H21NO4
- Average molar mass
- 291.34 g/mol
- Monoisotopic mass
- 291.14705815
Names & identifiers
- Preferred name
- (1-{2-[(4-Methoxyphenyl)amino]-2-oxoethyl}cyclopentyl)acetic acid
- IUPAC
- 2-[1-[2-(4-methoxyanilino)-2-oxoethyl]cyclopentyl]acetic acid
Names & synonyms
577999-29-2(1-{2-[(4-methoxyphenyl)amino]-2-oxoethyl}cyclopentyl)acetic acid2-(1-(2-((4-methoxyphenyl)amino)-2-oxoethyl)cyclopentyl)acetic acid{1-[2-(4-methoxyanilino)-2-oxoethyl]cyclopentyl}acetic acidChemDiv3_006185AF-399/41981438MLS001198743CHEMBL1374963DTXSID301333174HMS1490J03HMS2854C122-[1-[2-(4-methoxyanilino)-2-oxoethyl]cyclopentyl]acetic acid
Show more names
STK788423AKOS001689226IDI1_024095SMR000558869BRD-K16922606-001-01-8
Database identifiers
- CAS
577999-29-2- PubChem CID
- 830333
- DTXSID
DTXSID301333174- ChEMBL
CHEMBL1374963
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 368
Experimental & physicochemical properties
Solubility43.6 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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