3-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzoic acid

C14H19NO3 — CID 102823234

IUPAC3-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzoic acid
SMILESO=C(O)c1cccc(NCC2(CO)CCCC2)c1
InChIInChI=1S/C14H19NO3/c16-10-14(6-1-2-7-14)9-15-12-5-3-4-11(8-12)13(17)18/h3-5,8,15-16H,1-2,6-7,9-10H2,(H,17,18)
InChIKeyGKNDJDQSRIMWTQ-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.35
Rot. Bonds5

About 3-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzoic acid

3-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzoic acid (PubChem CID 102823234) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzoic acid.

Molecular Properties

Compound Name3-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzoic acid
PubChem CID102823234
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name3-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzoic acid
SMILESO=C(O)c1cccc(NCC2(CO)CCCC2)c1
InChIInChI=1S/C14H19NO3/c16-10-14(6-1-2-7-14)9-15-12-5-3-4-11(8-12)13(17)18/h3-5,8,15-16H,1-2,6-7,9-10H2,(H,17,18)
InChIKeyGKNDJDQSRIMWTQ-UHFFFAOYSA-N
XLogP2.35
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-(hydroxymethyl)cyclopropyl]methylamino]benzoic acid
CID 102823238
3-fluoro-4-[[1-(hydroxymethyl)cyclohexyl]methylamino]benzoic acid
CID 103968375
[1-[(3-methylsulfanylanilino)methyl]cyclohexyl]methanol
CID 81410870
3-[2-[[1-(hydroxymethyl)cyclopentyl]methylamino]ethoxy]benzoic acid
CID 103260315
3-(2-pyrrolidin-1-ylpropylamino)benzoic acid
CID 102823229
[1-[(3-aminoanilino)methyl]cyclopropyl]methanol
CID 115454159
4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N-methylbenzamide
CID 81413347
1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-phenylurea
CID 110642330
[1-[(2,3-dihydro-1H-inden-5-ylamino)methyl]cyclohexyl]methanol
CID 81411087
[1-[(3-pyrazol-1-ylanilino)methyl]cyclohexyl]methanol
CID 81400862
N-[5-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2-methylphenyl]acetamide
CID 81400351
3-[[2-(hydroxymethyl)cyclopentyl]methylamino]benzoic acid
CID 102823120

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzoic acid?
The IUPAC name of 3-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzoic acid (CID 102823234) is 3-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzoic acid.
What is the SMILES notation for 3-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzoic acid?
The canonical SMILES for 3-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzoic acid is O=C(O)c1cccc(NCC2(CO)CCCC2)c1.
What is the InChIKey of 3-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzoic acid?
The InChIKey is GKNDJDQSRIMWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c16-10-14(6-1-2-7-14)9-15-12-5-3-4-11(8-12)13(17)18/h3-5,8,15-16H,1-2,6-7,9-10H2,(H,17,18).
What are the key properties of 3-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzoic acid?
3-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzoic acid has a molecular weight of 249.31 g/mol, XLogP of 2.35, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzoic acid is sourced from PubChem (CID 102823234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).