2-chloro-6-(cyclopentylmethylamino)benzoic acid

C13H16ClNO2 — CID 62710285

IUPAC2-chloro-6-(cyclopentylmethylamino)benzoic acid
SMILESO=C(O)c1c(Cl)cccc1NCC1CCCC1
InChIInChI=1S/C13H16ClNO2/c14-10-6-3-7-11(12(10)13(16)17)15-8-9-4-1-2-5-9/h3,6-7,9,15H,1-2,4-5,8H2,(H,16,17)
InChIKeyCJLRVZJSNXILAK-UHFFFAOYSA-N
MW253.73 g/mol
LogP3.64
Rot. Bonds4

About 2-chloro-6-(cyclopentylmethylamino)benzoic acid

2-chloro-6-(cyclopentylmethylamino)benzoic acid (PubChem CID 62710285) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-chloro-6-(cyclopentylmethylamino)benzoic acid.

Molecular Properties

Compound Name2-chloro-6-(cyclopentylmethylamino)benzoic acid
PubChem CID62710285
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name2-chloro-6-(cyclopentylmethylamino)benzoic acid
SMILESO=C(O)c1c(Cl)cccc1NCC1CCCC1
InChIInChI=1S/C13H16ClNO2/c14-10-6-3-7-11(12(10)13(16)17)15-8-9-4-1-2-5-9/h3,6-7,9,15H,1-2,4-5,8H2,(H,16,17)
InChIKeyCJLRVZJSNXILAK-UHFFFAOYSA-N
XLogP3.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-(cyclopentylmethyl)aniline
CID 61344994
3-chloro-1-N-(cyclohexylmethyl)benzene-1,2-diamine
CID 104834104
2-chloro-6-[(4-methylmorpholin-2-yl)methylamino]benzoic acid
CID 79072368
2-chloro-6-(cyclohexylsulfonylamino)benzoic acid
CID 63724305
2-chloro-6-[3-(2-methylpiperidin-1-yl)propylamino]benzoic acid
CID 62710949
3-chloro-1-N-(cyclobutylmethyl)benzene-1,2-diamine
CID 104834099
3-chloro-1-N-(cyclohexylmethyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43739757
2,6-dichloro-3-(cyclopentylmethylsulfamoyl)benzoic acid
CID 43317193
2-fluoro-6-[(1-methylpiperidin-3-yl)methylamino]benzoic acid
CID 79522921
2-chloro-6-[[1-(dimethylamino)cyclopentyl]methylamino]benzoic acid
CID 83118194
2-chloro-6-[[2-(hydroxymethyl)cyclopentyl]amino]benzoic acid
CID 106364838
2-chloro-6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]benzoic acid
CID 107854812

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(cyclopentylmethylamino)benzoic acid?
The IUPAC name of 2-chloro-6-(cyclopentylmethylamino)benzoic acid (CID 62710285) is 2-chloro-6-(cyclopentylmethylamino)benzoic acid.
What is the SMILES notation for 2-chloro-6-(cyclopentylmethylamino)benzoic acid?
The canonical SMILES for 2-chloro-6-(cyclopentylmethylamino)benzoic acid is O=C(O)c1c(Cl)cccc1NCC1CCCC1.
What is the InChIKey of 2-chloro-6-(cyclopentylmethylamino)benzoic acid?
The InChIKey is CJLRVZJSNXILAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c14-10-6-3-7-11(12(10)13(16)17)15-8-9-4-1-2-5-9/h3,6-7,9,15H,1-2,4-5,8H2,(H,16,17).
What are the key properties of 2-chloro-6-(cyclopentylmethylamino)benzoic acid?
2-chloro-6-(cyclopentylmethylamino)benzoic acid has a molecular weight of 253.73 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(cyclopentylmethylamino)benzoic acid is sourced from PubChem (CID 62710285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).