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

C16H21NO4 — CID 82809247

IUPAC2-[(3-hydroxy-2-methylbenzoyl)amino]cycloheptane-1-carboxylic acid
SMILESCc1c(O)cccc1C(=O)NC1CCCCCC1C(=O)O
InChIInChI=1S/C16H21NO4/c1-10-11(7-5-9-14(10)18)15(19)17-13-8-4-2-3-6-12(13)16(20)21/h5,7,9,12-13,18H,2-4,6,8H2,1H3,(H,17,19)(H,20,21)
InChIKeyBTBGGPFWIZPDPV-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.46
Rot. Bonds3

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

2-[(3-hydroxy-2-methylbenzoyl)amino]cycloheptane-1-carboxylic acid (PubChem CID 82809247) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[(3-hydroxy-2-methylbenzoyl)amino]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-hydroxy-2-methylbenzoyl)amino]cycloheptane-1-carboxylic acid
PubChem CID82809247
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name2-[(3-hydroxy-2-methylbenzoyl)amino]cycloheptane-1-carboxylic acid
SMILESCc1c(O)cccc1C(=O)NC1CCCCCC1C(=O)O
InChIInChI=1S/C16H21NO4/c1-10-11(7-5-9-14(10)18)15(19)17-13-8-4-2-3-6-12(13)16(20)21/h5,7,9,12-13,18H,2-4,6,8H2,1H3,(H,17,19)(H,20,21)
InChIKeyBTBGGPFWIZPDPV-UHFFFAOYSA-N
XLogP2.46
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-2-methyl-N-(2-methylcycloheptyl)benzamide
CID 82829354
2-[(2,3-dihydroxybenzoyl)amino]cycloheptane-1-carboxylic acid
CID 114343415
N-(2-carbamothioylcyclopentyl)-3-hydroxy-2-methylbenzamide
CID 82829545
2-[(2-chloro-3-methylbenzoyl)amino]cyclooctane-1-carboxylic acid
CID 120532932
N-cyclopentyl-3-hydroxy-2-methylbenzamide
CID 82786265
2-[(2-bromo-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106703293
3-hydroxy-2-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82829597
2-[(2-iodobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64813949
2-[(3-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64812501
2-[(2,3-dichlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 64813494
N-(3-ethyl-2-methylcyclopentyl)-3-hydroxy-2-methylbenzamide
CID 82829272
3-[(3-hydroxy-2-methylbenzoyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 82808732

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-2-methylbenzoyl)amino]cycloheptane-1-carboxylic acid?
The IUPAC name of 2-[(3-hydroxy-2-methylbenzoyl)amino]cycloheptane-1-carboxylic acid (CID 82809247) is 2-[(3-hydroxy-2-methylbenzoyl)amino]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 2-[(3-hydroxy-2-methylbenzoyl)amino]cycloheptane-1-carboxylic acid?
The canonical SMILES for 2-[(3-hydroxy-2-methylbenzoyl)amino]cycloheptane-1-carboxylic acid is Cc1c(O)cccc1C(=O)NC1CCCCCC1C(=O)O.
What is the InChIKey of 2-[(3-hydroxy-2-methylbenzoyl)amino]cycloheptane-1-carboxylic acid?
The InChIKey is BTBGGPFWIZPDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-10-11(7-5-9-14(10)18)15(19)17-13-8-4-2-3-6-12(13)16(20)21/h5,7,9,12-13,18H,2-4,6,8H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 2-[(3-hydroxy-2-methylbenzoyl)amino]cycloheptane-1-carboxylic acid?
2-[(3-hydroxy-2-methylbenzoyl)amino]cycloheptane-1-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 2.46, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-2-methylbenzoyl)amino]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 82809247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).