4-chloro-2-[(2-methoxycyclopentyl)amino]benzoic acid

C13H16ClNO3 — CID 63081988

IUPAC4-chloro-2-[(2-methoxycyclopentyl)amino]benzoic acid
SMILESCOC1CCCC1Nc1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C13H16ClNO3/c1-18-12-4-2-3-10(12)15-11-7-8(14)5-6-9(11)13(16)17/h5-7,10,12,15H,2-4H2,1H3,(H,16,17)
InChIKeyLJSORAMWQZUHNV-UHFFFAOYSA-N
MW269.73 g/mol
LogP3.02
Rot. Bonds4

About 4-chloro-2-[(2-methoxycyclopentyl)amino]benzoic acid

4-chloro-2-[(2-methoxycyclopentyl)amino]benzoic acid (PubChem CID 63081988) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is 4-chloro-2-[(2-methoxycyclopentyl)amino]benzoic acid.

Molecular Properties

Compound Name4-chloro-2-[(2-methoxycyclopentyl)amino]benzoic acid
PubChem CID63081988
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name4-chloro-2-[(2-methoxycyclopentyl)amino]benzoic acid
SMILESCOC1CCCC1Nc1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C13H16ClNO3/c1-18-12-4-2-3-10(12)15-11-7-8(14)5-6-9(11)13(16)17/h5-7,10,12,15H,2-4H2,1H3,(H,16,17)
InChIKeyLJSORAMWQZUHNV-UHFFFAOYSA-N
XLogP3.02
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-fluoro-5-[(2-methoxycyclopentyl)amino]benzoic acid
CID 62089002
4-chloro-2-[(4-methylcyclohexyl)amino]benzoic acid
CID 63510691
4-fluoro-5-[(2-methoxycyclopentyl)amino]-2-nitrobenzoic acid
CID 62087189
5-chloro-2-hydroxy-N-(2-methoxycyclopentyl)benzamide
CID 62087187
methyl 2-amino-4-fluoro-5-[(2-methoxycyclopentyl)amino]benzoate
CID 62087029
4-chloro-2-[(4-methoxypiperidine-1-carbonyl)amino]benzoic acid
CID 61199543
methyl 2,3-difluoro-4-[(2-methoxycyclopentyl)amino]benzoate
CID 79837709
4-chloro-2-(oxolan-3-ylamino)benzoic acid
CID 80716241
1-N-(2-methoxycyclopentyl)-4-methylbenzene-1,2-diamine
CID 62088185
4-chloro-3-[(2-methoxycyclopentyl)carbamoylamino]benzoic acid
CID 62088259
methyl 2-[(3-aminocyclohexyl)amino]-4-chlorobenzoate
CID 79459028
2,4,5-trifluoro-N-(2-methoxycyclohexyl)aniline
CID 62815537

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2-methoxycyclopentyl)amino]benzoic acid?
The IUPAC name of 4-chloro-2-[(2-methoxycyclopentyl)amino]benzoic acid (CID 63081988) is 4-chloro-2-[(2-methoxycyclopentyl)amino]benzoic acid.
What is the SMILES notation for 4-chloro-2-[(2-methoxycyclopentyl)amino]benzoic acid?
The canonical SMILES for 4-chloro-2-[(2-methoxycyclopentyl)amino]benzoic acid is COC1CCCC1Nc1cc(Cl)ccc1C(=O)O.
What is the InChIKey of 4-chloro-2-[(2-methoxycyclopentyl)amino]benzoic acid?
The InChIKey is LJSORAMWQZUHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c1-18-12-4-2-3-10(12)15-11-7-8(14)5-6-9(11)13(16)17/h5-7,10,12,15H,2-4H2,1H3,(H,16,17).
What are the key properties of 4-chloro-2-[(2-methoxycyclopentyl)amino]benzoic acid?
4-chloro-2-[(2-methoxycyclopentyl)amino]benzoic acid has a molecular weight of 269.73 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2-methoxycyclopentyl)amino]benzoic acid is sourced from PubChem (CID 63081988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).