2-chloro-6-[[2-(hydroxymethyl)cyclopentyl]amino]benzoic acid

C13H16ClNO3 — CID 106364838

IUPAC2-chloro-6-[[2-(hydroxymethyl)cyclopentyl]amino]benzoic acid
SMILESO=C(O)c1c(Cl)cccc1NC1CCCC1CO
InChIInChI=1S/C13H16ClNO3/c14-9-4-2-6-11(12(9)13(17)18)15-10-5-1-3-8(10)7-16/h2,4,6,8,10,15-16H,1,3,5,7H2,(H,17,18)
InChIKeyXBTFLUDLXOICTI-UHFFFAOYSA-N
MW269.73 g/mol
LogP2.61
Rot. Bonds4

About 2-chloro-6-[[2-(hydroxymethyl)cyclopentyl]amino]benzoic acid

2-chloro-6-[[2-(hydroxymethyl)cyclopentyl]amino]benzoic acid (PubChem CID 106364838) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is 2-chloro-6-[[2-(hydroxymethyl)cyclopentyl]amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-6-[[2-(hydroxymethyl)cyclopentyl]amino]benzoic acid
PubChem CID106364838
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name2-chloro-6-[[2-(hydroxymethyl)cyclopentyl]amino]benzoic acid
SMILESO=C(O)c1c(Cl)cccc1NC1CCCC1CO
InChIInChI=1S/C13H16ClNO3/c14-9-4-2-6-11(12(9)13(17)18)15-10-5-1-3-8(10)7-16/h2,4,6,8,10,15-16H,1,3,5,7H2,(H,17,18)
InChIKeyXBTFLUDLXOICTI-UHFFFAOYSA-N
XLogP2.61
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-[[2-(hydroxymethyl)cyclopentyl]amino]benzoic acid
CID 106364831
2-amino-6-chloro-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 106358522
2-[(2-aminocycloheptyl)amino]-6-chlorobenzamide
CID 63258411
5-chloro-2-[[2-(hydroxymethyl)cyclohexyl]amino]benzoic acid
CID 114178785
2-chloro-6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 106364539
[2-(4-amino-2-chloroanilino)cyclopentyl]methanol
CID 106359015
2-chloro-6-(cyclopentylmethylamino)benzoic acid
CID 62710285
2-[(2-aminocyclopropyl)amino]-6-chlorobenzamide
CID 62496991
2-[[2-(hydroxymethyl)cyclopentyl]amino]-3-methylbenzoic acid
CID 114179226
2-[[2-(hydroxymethyl)cyclopentyl]amino]-4-methylbenzoic acid
CID 106361825
2-chloro-6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]benzoic acid
CID 107854812
2-[[2-(hydroxymethyl)cyclopentyl]amino]-N-methylbenzenesulfonamide
CID 106362109

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[[2-(hydroxymethyl)cyclopentyl]amino]benzoic acid?
The IUPAC name of 2-chloro-6-[[2-(hydroxymethyl)cyclopentyl]amino]benzoic acid (CID 106364838) is 2-chloro-6-[[2-(hydroxymethyl)cyclopentyl]amino]benzoic acid.
What is the SMILES notation for 2-chloro-6-[[2-(hydroxymethyl)cyclopentyl]amino]benzoic acid?
The canonical SMILES for 2-chloro-6-[[2-(hydroxymethyl)cyclopentyl]amino]benzoic acid is O=C(O)c1c(Cl)cccc1NC1CCCC1CO.
What is the InChIKey of 2-chloro-6-[[2-(hydroxymethyl)cyclopentyl]amino]benzoic acid?
The InChIKey is XBTFLUDLXOICTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c14-9-4-2-6-11(12(9)13(17)18)15-10-5-1-3-8(10)7-16/h2,4,6,8,10,15-16H,1,3,5,7H2,(H,17,18).
What are the key properties of 2-chloro-6-[[2-(hydroxymethyl)cyclopentyl]amino]benzoic acid?
2-chloro-6-[[2-(hydroxymethyl)cyclopentyl]amino]benzoic acid has a molecular weight of 269.73 g/mol, XLogP of 2.61, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[[2-(hydroxymethyl)cyclopentyl]amino]benzoic acid is sourced from PubChem (CID 106364838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).