4-fluoro-3-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzoic acid

C14H18FNO3 — CID 107452835

IUPAC4-fluoro-3-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzoic acid
SMILESO=C(O)c1ccc(F)c(CNC2(CO)CCCC2)c1
InChIInChI=1S/C14H18FNO3/c15-12-4-3-10(13(18)19)7-11(12)8-16-14(9-17)5-1-2-6-14/h3-4,7,16-17H,1-2,5-6,8-9H2,(H,18,19)
InChIKeyODOKNECXVFJHTD-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.92
Rot. Bonds5

About 4-fluoro-3-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzoic acid

4-fluoro-3-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzoic acid (PubChem CID 107452835) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 4-fluoro-3-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-fluoro-3-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzoic acid
PubChem CID107452835
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name4-fluoro-3-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzoic acid
SMILESO=C(O)c1ccc(F)c(CNC2(CO)CCCC2)c1
InChIInChI=1S/C14H18FNO3/c15-12-4-3-10(13(18)19)7-11(12)8-16-14(9-17)5-1-2-6-14/h3-4,7,16-17H,1-2,5-6,8-9H2,(H,18,19)
InChIKeyODOKNECXVFJHTD-UHFFFAOYSA-N
XLogP1.92
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Acetamidomethyl)benzoic acid
CID 506074
3-((Benzylamino)methyl)benzoic acid
CID 45266999
3-(Aminomethyl)-2-fluorobenzoic acid hydrochloride
CID 68634165
3-[(3-Aminooxypropylamino)methyl]benzoic acid;dihydrochloride
CID 49863483
3-[[[(1R)-3-borono-1-carboxypropyl]amino]methyl]benzoic acid
CID 168299136
3-[[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]methyl]benzoic acid
CID 172466124
3-((2-Hydroxycyclohexyl)carbamoyl)benzoic acid
CID 62359470
3-((Dimethylamino)methyl)-4-fluorobenzoic acid
CID 63068226
5-(Aminomethyl)-2-fluorobenzoic acid hydrochloride
CID 145913691
3-[(3-Aminooxypropylamino)methyl]benzoic acid, dihydrochloride
CID 25210545
3-[(t-Butyloxycarbonylmethylamino)methyl]-4-fluorobenzoic acid
CID 129768313
3-[[(3-Amino-5-methoxy-2,5-dioxopentyl)amino]methyl]-4-fluorobenzoic acid
CID 23297803

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzoic acid?
The IUPAC name of 4-fluoro-3-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzoic acid (CID 107452835) is 4-fluoro-3-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzoic acid.
What is the SMILES notation for 4-fluoro-3-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzoic acid?
The canonical SMILES for 4-fluoro-3-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzoic acid is O=C(O)c1ccc(F)c(CNC2(CO)CCCC2)c1.
What is the InChIKey of 4-fluoro-3-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzoic acid?
The InChIKey is ODOKNECXVFJHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c15-12-4-3-10(13(18)19)7-11(12)8-16-14(9-17)5-1-2-6-14/h3-4,7,16-17H,1-2,5-6,8-9H2,(H,18,19).
What are the key properties of 4-fluoro-3-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzoic acid?
4-fluoro-3-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzoic acid has a molecular weight of 267.30 g/mol, XLogP of 1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzoic acid is sourced from PubChem (CID 107452835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).