2-[[2-(hydroxymethyl)cyclopentyl]amino]-4-methylbenzoic acid

C14H19NO3 — CID 106361825

IUPAC2-[[2-(hydroxymethyl)cyclopentyl]amino]-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)c(NC2CCCC2CO)c1
InChIInChI=1S/C14H19NO3/c1-9-5-6-11(14(17)18)13(7-9)15-12-4-2-3-10(12)8-16/h5-7,10,12,15-16H,2-4,8H2,1H3,(H,17,18)
InChIKeyYRCISDFVDHMPJB-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.27
Rot. Bonds4

About 2-[[2-(hydroxymethyl)cyclopentyl]amino]-4-methylbenzoic acid

2-[[2-(hydroxymethyl)cyclopentyl]amino]-4-methylbenzoic acid (PubChem CID 106361825) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[[2-(hydroxymethyl)cyclopentyl]amino]-4-methylbenzoic acid.

Molecular Properties

Compound Name2-[[2-(hydroxymethyl)cyclopentyl]amino]-4-methylbenzoic acid
PubChem CID106361825
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-[[2-(hydroxymethyl)cyclopentyl]amino]-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)c(NC2CCCC2CO)c1
InChIInChI=1S/C14H19NO3/c1-9-5-6-11(14(17)18)13(7-9)15-12-4-2-3-10(12)8-16/h5-7,10,12,15-16H,2-4,8H2,1H3,(H,17,18)
InChIKeyYRCISDFVDHMPJB-UHFFFAOYSA-N
XLogP2.27
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(hydroxymethyl)cyclopentyl]amino]-4-nitrobenzoic acid
CID 106361797
2-(cyclopentylamino)-4-methylbenzoic acid
CID 62710261
2-(cyclooctylamino)-4-methylbenzoic acid
CID 63512183
5-chloro-2-[[2-(hydroxymethyl)cyclohexyl]amino]benzoic acid
CID 114178785
2-[[2-(hydroxymethyl)cyclopentyl]amino]-3-methylbenzoic acid
CID 114179226
2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-4-methylbenzoic acid
CID 62711181
4-amino-2-[[2-(hydroxymethyl)cyclopentyl]amino]-N-methylbenzamide
CID 106358913
2-amino-N-[2-(hydroxymethyl)cyclopentyl]-5-methylbenzamide
CID 114178387
3-chloro-4-[[2-(hydroxymethyl)cyclopentyl]amino]benzoic acid
CID 106364831
[2-(4-methyl-2-nitroanilino)cyclohexyl]methanol
CID 103846647
2-hydroxy-N-[2-(hydroxymethyl)cyclopentyl]-5-methylbenzamide
CID 103822598
2-[(2-ethylcyclohexyl)amino]-4-methylbenzenecarbothioamide
CID 55224049

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(hydroxymethyl)cyclopentyl]amino]-4-methylbenzoic acid?
The IUPAC name of 2-[[2-(hydroxymethyl)cyclopentyl]amino]-4-methylbenzoic acid (CID 106361825) is 2-[[2-(hydroxymethyl)cyclopentyl]amino]-4-methylbenzoic acid.
What is the SMILES notation for 2-[[2-(hydroxymethyl)cyclopentyl]amino]-4-methylbenzoic acid?
The canonical SMILES for 2-[[2-(hydroxymethyl)cyclopentyl]amino]-4-methylbenzoic acid is Cc1ccc(C(=O)O)c(NC2CCCC2CO)c1.
What is the InChIKey of 2-[[2-(hydroxymethyl)cyclopentyl]amino]-4-methylbenzoic acid?
The InChIKey is YRCISDFVDHMPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-9-5-6-11(14(17)18)13(7-9)15-12-4-2-3-10(12)8-16/h5-7,10,12,15-16H,2-4,8H2,1H3,(H,17,18).
What are the key properties of 2-[[2-(hydroxymethyl)cyclopentyl]amino]-4-methylbenzoic acid?
2-[[2-(hydroxymethyl)cyclopentyl]amino]-4-methylbenzoic acid has a molecular weight of 249.31 g/mol, XLogP of 2.27, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(hydroxymethyl)cyclopentyl]amino]-4-methylbenzoic acid is sourced from PubChem (CID 106361825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).