2-(cyclopentylamino)-4-methylbenzoic acid

C13H17NO2 — CID 62710261

IUPAC2-(cyclopentylamino)-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)c(NC2CCCC2)c1
InChIInChI=1S/C13H17NO2/c1-9-6-7-11(13(15)16)12(8-9)14-10-4-2-3-5-10/h6-8,10,14H,2-5H2,1H3,(H,15,16)
InChIKeyRKDORHOXTUJHST-UHFFFAOYSA-N
MW219.28 g/mol
LogP3.05
Rot. Bonds3

About 2-(cyclopentylamino)-4-methylbenzoic acid

2-(cyclopentylamino)-4-methylbenzoic acid (PubChem CID 62710261) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-(cyclopentylamino)-4-methylbenzoic acid.

Molecular Properties

Compound Name2-(cyclopentylamino)-4-methylbenzoic acid
PubChem CID62710261
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-(cyclopentylamino)-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)c(NC2CCCC2)c1
InChIInChI=1S/C13H17NO2/c1-9-6-7-11(13(15)16)12(8-9)14-10-4-2-3-5-10/h6-8,10,14H,2-5H2,1H3,(H,15,16)
InChIKeyRKDORHOXTUJHST-UHFFFAOYSA-N
XLogP3.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclooctylamino)-4-methylbenzoic acid
CID 63512183
4-methyl-2-[(1-methylpiperidin-4-yl)amino]benzoic acid
CID 62709432
2-(cyclopentylamino)-4-fluorobenzoic acid
CID 82933177
2-[[2-(hydroxymethyl)cyclopentyl]amino]-4-methylbenzoic acid
CID 106361825
2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-4-methylbenzoic acid
CID 62711181
methyl 2-(cyclopentylamino)-5-methylbenzoate
CID 43679174
3-(cyclohexylamino)-2-methylbenzoic acid
CID 43737301
4-methyl-2-(piperidin-4-ylamino)benzamide
CID 62308857
2-cyclobutyloxy-4-methylbenzoic acid
CID 62700894
2-(cyclohexylamino)-4,5-difluorobenzoic acid
CID 82933532
2-(1-cyclopropylethylamino)-4-methylbenzoic acid
CID 62711831
2-[1-(cyclopentylamino)-1-oxopropan-2-yl]oxy-4-methylbenzoic acid
CID 60651700

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-4-methylbenzoic acid?
The IUPAC name of 2-(cyclopentylamino)-4-methylbenzoic acid (CID 62710261) is 2-(cyclopentylamino)-4-methylbenzoic acid.
What is the SMILES notation for 2-(cyclopentylamino)-4-methylbenzoic acid?
The canonical SMILES for 2-(cyclopentylamino)-4-methylbenzoic acid is Cc1ccc(C(=O)O)c(NC2CCCC2)c1.
What is the InChIKey of 2-(cyclopentylamino)-4-methylbenzoic acid?
The InChIKey is RKDORHOXTUJHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9-6-7-11(13(15)16)12(8-9)14-10-4-2-3-5-10/h6-8,10,14H,2-5H2,1H3,(H,15,16).
What are the key properties of 2-(cyclopentylamino)-4-methylbenzoic acid?
2-(cyclopentylamino)-4-methylbenzoic acid has a molecular weight of 219.28 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-4-methylbenzoic acid is sourced from PubChem (CID 62710261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).