2-[(2-aminocyclopentanecarbonyl)amino]-4-fluorobenzoic acid

C13H15FN2O3 — CID 64822060

IUPAC2-[(2-aminocyclopentanecarbonyl)amino]-4-fluorobenzoic acid
SMILESNC1CCCC1C(=O)Nc1cc(F)ccc1C(=O)O
InChIInChI=1S/C13H15FN2O3/c14-7-4-5-9(13(18)19)11(6-7)16-12(17)8-2-1-3-10(8)15/h4-6,8,10H,1-3,15H2,(H,16,17)(H,18,19)
InChIKeyBUXZKDMJTKEEDF-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.59
Rot. Bonds3

About 2-[(2-aminocyclopentanecarbonyl)amino]-4-fluorobenzoic acid

2-[(2-aminocyclopentanecarbonyl)amino]-4-fluorobenzoic acid (PubChem CID 64822060) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is 2-[(2-aminocyclopentanecarbonyl)amino]-4-fluorobenzoic acid.

Molecular Properties

Compound Name2-[(2-aminocyclopentanecarbonyl)amino]-4-fluorobenzoic acid
PubChem CID64822060
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Name2-[(2-aminocyclopentanecarbonyl)amino]-4-fluorobenzoic acid
SMILESNC1CCCC1C(=O)Nc1cc(F)ccc1C(=O)O
InChIInChI=1S/C13H15FN2O3/c14-7-4-5-9(13(18)19)11(6-7)16-12(17)8-2-1-3-10(8)15/h4-6,8,10H,1-3,15H2,(H,16,17)(H,18,19)
InChIKeyBUXZKDMJTKEEDF-UHFFFAOYSA-N
XLogP1.59
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-aminocyclohexanecarbonyl)amino]-4-fluorobenzoic acid
CID 64824996
2-amino-N-(4-fluoro-2-methylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119679603
2-(cycloheptanecarbonylamino)-4-fluorobenzoic acid
CID 62585770
2-amino-N-(4-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670661
4-fluoro-2-(piperidine-4-carbonylamino)benzoic acid
CID 61157573
3-[(2-aminocyclohexanecarbonyl)amino]-4-fluorobenzoic acid
CID 64823949
2-[(2-aminocyclohexanecarbonyl)amino]-5-methylbenzoic acid
CID 64823038
3-[(2-aminocyclopentanecarbonyl)amino]-4-hydroxybenzoic acid
CID 107265105
2-[(2,2-dimethylcyclopentanecarbonyl)amino]-4-fluorobenzoic acid
CID 107175114
2-amino-N-(5-chloro-2-fluorophenyl)cyclohexane-1-carboxamide
CID 64822915
3-[(2-aminocyclopentanecarbonyl)amino]-4-bromobenzoic acid
CID 107813555
2-(cyclopentylamino)-4-fluorobenzoic acid
CID 82933177

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminocyclopentanecarbonyl)amino]-4-fluorobenzoic acid?
The IUPAC name of 2-[(2-aminocyclopentanecarbonyl)amino]-4-fluorobenzoic acid (CID 64822060) is 2-[(2-aminocyclopentanecarbonyl)amino]-4-fluorobenzoic acid.
What is the SMILES notation for 2-[(2-aminocyclopentanecarbonyl)amino]-4-fluorobenzoic acid?
The canonical SMILES for 2-[(2-aminocyclopentanecarbonyl)amino]-4-fluorobenzoic acid is NC1CCCC1C(=O)Nc1cc(F)ccc1C(=O)O.
What is the InChIKey of 2-[(2-aminocyclopentanecarbonyl)amino]-4-fluorobenzoic acid?
The InChIKey is BUXZKDMJTKEEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c14-7-4-5-9(13(18)19)11(6-7)16-12(17)8-2-1-3-10(8)15/h4-6,8,10H,1-3,15H2,(H,16,17)(H,18,19).
What are the key properties of 2-[(2-aminocyclopentanecarbonyl)amino]-4-fluorobenzoic acid?
2-[(2-aminocyclopentanecarbonyl)amino]-4-fluorobenzoic acid has a molecular weight of 266.27 g/mol, XLogP of 1.59, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminocyclopentanecarbonyl)amino]-4-fluorobenzoic acid is sourced from PubChem (CID 64822060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).