3-[(3-aminocyclopentyl)amino]-4-fluorobenzoic acid

C12H15FN2O2 — CID 79461554

IUPAC3-[(3-aminocyclopentyl)amino]-4-fluorobenzoic acid
SMILESNC1CCC(Nc2cc(C(=O)O)ccc2F)C1
InChIInChI=1S/C12H15FN2O2/c13-10-4-1-7(12(16)17)5-11(10)15-9-3-2-8(14)6-9/h1,4-5,8-9,15H,2-3,6,14H2,(H,16,17)
InChIKeyUMZWWJAFZSUDRV-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.82
Rot. Bonds3

About 3-[(3-aminocyclopentyl)amino]-4-fluorobenzoic acid

3-[(3-aminocyclopentyl)amino]-4-fluorobenzoic acid (PubChem CID 79461554) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 3-[(3-aminocyclopentyl)amino]-4-fluorobenzoic acid.

Molecular Properties

Compound Name3-[(3-aminocyclopentyl)amino]-4-fluorobenzoic acid
PubChem CID79461554
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name3-[(3-aminocyclopentyl)amino]-4-fluorobenzoic acid
SMILESNC1CCC(Nc2cc(C(=O)O)ccc2F)C1
InChIInChI=1S/C12H15FN2O2/c13-10-4-1-7(12(16)17)5-11(10)15-9-3-2-8(14)6-9/h1,4-5,8-9,15H,2-3,6,14H2,(H,16,17)
InChIKeyUMZWWJAFZSUDRV-UHFFFAOYSA-N
XLogP1.82
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-aminocyclopentyl)amino]-5-fluoro-4-methylbenzamide
CID 79462509
4-fluoro-3-[(4-propan-2-ylcycloheptyl)amino]benzoic acid
CID 65086823
4-fluoro-3-[(1-propan-2-ylazepan-4-yl)amino]benzoic acid
CID 65074474
methyl 5-[(3-aminocyclopentyl)amino]-2,4-difluorobenzoate
CID 79461119
N-(4-aminocyclohexyl)-4-fluoro-3-(methanesulfonamido)benzamide
CID 119475981
methyl 3-[(3-aminocyclopentyl)amino]-4-chlorobenzoate
CID 79462743
1-N-(5-chloro-2-fluorophenyl)cyclohexane-1,3-diamine
CID 79459416
4-[(3-aminocyclohexyl)amino]benzoic acid
CID 79459514
4-fluoro-3-[[3-(phenylmethoxycarbonylamino)cyclobutyl]amino]benzoic acid
CID 103393121
4-fluoro-3-[(2-methylcyclopentyl)amino]benzoic acid
CID 65043893
3-[(1-ethylazepan-4-yl)amino]-4-fluorobenzoic acid
CID 65074475
3-[(2-aminocyclohexanecarbonyl)amino]-4-fluorobenzoic acid
CID 64823949

Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminocyclopentyl)amino]-4-fluorobenzoic acid?
The IUPAC name of 3-[(3-aminocyclopentyl)amino]-4-fluorobenzoic acid (CID 79461554) is 3-[(3-aminocyclopentyl)amino]-4-fluorobenzoic acid.
What is the SMILES notation for 3-[(3-aminocyclopentyl)amino]-4-fluorobenzoic acid?
The canonical SMILES for 3-[(3-aminocyclopentyl)amino]-4-fluorobenzoic acid is NC1CCC(Nc2cc(C(=O)O)ccc2F)C1.
What is the InChIKey of 3-[(3-aminocyclopentyl)amino]-4-fluorobenzoic acid?
The InChIKey is UMZWWJAFZSUDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c13-10-4-1-7(12(16)17)5-11(10)15-9-3-2-8(14)6-9/h1,4-5,8-9,15H,2-3,6,14H2,(H,16,17).
What are the key properties of 3-[(3-aminocyclopentyl)amino]-4-fluorobenzoic acid?
3-[(3-aminocyclopentyl)amino]-4-fluorobenzoic acid has a molecular weight of 238.26 g/mol, XLogP of 1.82, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-aminocyclopentyl)amino]-4-fluorobenzoic acid is sourced from PubChem (CID 79461554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).