2-(cyclopentanecarbonylamino)-2-(2-methylphenyl)acetic acid

C15H19NO3 — CID 82090476

IUPAC2-(cyclopentanecarbonylamino)-2-(2-methylphenyl)acetic acid
SMILESCc1ccccc1C(NC(=O)C1CCCC1)C(=O)O
InChIInChI=1S/C15H19NO3/c1-10-6-2-5-9-12(10)13(15(18)19)16-14(17)11-7-3-4-8-11/h2,5-6,9,11,13H,3-4,7-8H2,1H3,(H,16,17)(H,18,19)
InChIKeyGOKNFLBLDFLONJ-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.43
Rot. Bonds4

About 2-(cyclopentanecarbonylamino)-2-(2-methylphenyl)acetic acid

2-(cyclopentanecarbonylamino)-2-(2-methylphenyl)acetic acid (PubChem CID 82090476) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(cyclopentanecarbonylamino)-2-(2-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-(cyclopentanecarbonylamino)-2-(2-methylphenyl)acetic acid
PubChem CID82090476
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-(cyclopentanecarbonylamino)-2-(2-methylphenyl)acetic acid
SMILESCc1ccccc1C(NC(=O)C1CCCC1)C(=O)O
InChIInChI=1S/C15H19NO3/c1-10-6-2-5-9-12(10)13(15(18)19)16-14(17)11-7-3-4-8-11/h2,5-6,9,11,13H,3-4,7-8H2,1H3,(H,16,17)(H,18,19)
InChIKeyGOKNFLBLDFLONJ-UHFFFAOYSA-N
XLogP2.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(cyclooctanecarbonylamino)-2-phenylacetic acid
CID 65018923
(2R)-2-(methoxycarbonylamino)-2-(2-methylphenyl)acetic acid
CID 67681824
2-benzamido-2-(2-methylphenyl)acetic acid
CID 82092810
cis-(1S,3R)-3-[[(1S)-1-(2-methylphenyl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 124552970
N-[1-(2-aminophenyl)ethyl]cyclopentanecarboxamide
CID 43297876
(2R)-2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]-2-phenylacetic acid
CID 119368013
(3S)-N-[1-(2-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81140463
N-[(S)-(4-methylphenyl)-phenylmethyl]cyclopentanecarboxamide
CID 8798133
N-[2-methoxy-2-(2-methylphenyl)ethyl]cyclohexanecarboxamide
CID 90598682
(2R)-2-[3-(cyclopentanecarbonylamino)butanoylamino]-2-phenylacetic acid
CID 119367850
N-[3-methyl-1-(2-methylphenyl)butyl]piperidine-4-carboxamide;hydrochloride
CID 119323124
methyl (2R)-2-(cyclobutanecarbonylamino)-2-[2-(trifluoromethyl)phenyl]acetate
CID 95140162

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentanecarbonylamino)-2-(2-methylphenyl)acetic acid?
The IUPAC name of 2-(cyclopentanecarbonylamino)-2-(2-methylphenyl)acetic acid (CID 82090476) is 2-(cyclopentanecarbonylamino)-2-(2-methylphenyl)acetic acid.
What is the SMILES notation for 2-(cyclopentanecarbonylamino)-2-(2-methylphenyl)acetic acid?
The canonical SMILES for 2-(cyclopentanecarbonylamino)-2-(2-methylphenyl)acetic acid is Cc1ccccc1C(NC(=O)C1CCCC1)C(=O)O.
What is the InChIKey of 2-(cyclopentanecarbonylamino)-2-(2-methylphenyl)acetic acid?
The InChIKey is GOKNFLBLDFLONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-10-6-2-5-9-12(10)13(15(18)19)16-14(17)11-7-3-4-8-11/h2,5-6,9,11,13H,3-4,7-8H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-(cyclopentanecarbonylamino)-2-(2-methylphenyl)acetic acid?
2-(cyclopentanecarbonylamino)-2-(2-methylphenyl)acetic acid has a molecular weight of 261.32 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentanecarbonylamino)-2-(2-methylphenyl)acetic acid is sourced from PubChem (CID 82090476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).