3-[(2-hydroxy-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid

C14H17NO4 — CID 66032729

IUPAC3-[(2-hydroxy-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1cccc(C(=O)NC2CCC(C(=O)O)C2)c1O
InChIInChI=1S/C14H17NO4/c1-8-3-2-4-11(12(8)16)13(17)15-10-6-5-9(7-10)14(18)19/h2-4,9-10,16H,5-7H2,1H3,(H,15,17)(H,18,19)
InChIKeyIFPWMAYJNSYAGR-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.68
Rot. Bonds3

About 3-[(2-hydroxy-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid

3-[(2-hydroxy-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 66032729) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 3-[(2-hydroxy-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2-hydroxy-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
PubChem CID66032729
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name3-[(2-hydroxy-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1cccc(C(=O)NC2CCC(C(=O)O)C2)c1O
InChIInChI=1S/C14H17NO4/c1-8-3-2-4-11(12(8)16)13(17)15-10-6-5-9(7-10)14(18)19/h2-4,9-10,16H,5-7H2,1H3,(H,15,17)(H,18,19)
InChIKeyIFPWMAYJNSYAGR-UHFFFAOYSA-N
XLogP1.68
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclobutyl-2-hydroxy-3-methylbenzamide
CID 62416564
3-[(3-methyl-2-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66033111
4-[(2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 60808371
4-[(2-iodo-3-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 103790909
N-cyclopent-3-en-1-yl-2-hydroxy-3-methylbenzamide
CID 115696804
trans-(1R,3R)-3-[(2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 97318284
3-[(2,6-dihydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 107688102
cis-(1R,3S)-3-[(2,6-dihydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106319993
3-[(2-aminobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032352
3-[(3-chloro-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 81267596
cis-(1S,3R)-3-[(2-ethoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120677160
cis-(1S,3R)-3-[[2-(methoxymethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120676087

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(2-hydroxy-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid (CID 66032729) is 3-[(2-hydroxy-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(2-hydroxy-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(2-hydroxy-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid is Cc1cccc(C(=O)NC2CCC(C(=O)O)C2)c1O.
What is the InChIKey of 3-[(2-hydroxy-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is IFPWMAYJNSYAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-8-3-2-4-11(12(8)16)13(17)15-10-6-5-9(7-10)14(18)19/h2-4,9-10,16H,5-7H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 3-[(2-hydroxy-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid?
3-[(2-hydroxy-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 263.29 g/mol, XLogP of 1.68, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66032729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).