2-[(1-aminocyclopentanecarbonyl)amino]-4-fluorobenzoic acid

C13H15FN2O3 — CID 61157387

IUPAC2-[(1-aminocyclopentanecarbonyl)amino]-4-fluorobenzoic acid
SMILESNC1(C(=O)Nc2cc(F)ccc2C(=O)O)CCCC1
InChIInChI=1S/C13H15FN2O3/c14-8-3-4-9(11(17)18)10(7-8)16-12(19)13(15)5-1-2-6-13/h3-4,7H,1-2,5-6,15H2,(H,16,19)(H,17,18)
InChIKeyBMYRSCJUPFILTQ-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.73
Rot. Bonds3

About 2-[(1-aminocyclopentanecarbonyl)amino]-4-fluorobenzoic acid

2-[(1-aminocyclopentanecarbonyl)amino]-4-fluorobenzoic acid (PubChem CID 61157387) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is 2-[(1-aminocyclopentanecarbonyl)amino]-4-fluorobenzoic acid.

Molecular Properties

Compound Name2-[(1-aminocyclopentanecarbonyl)amino]-4-fluorobenzoic acid
PubChem CID61157387
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Name2-[(1-aminocyclopentanecarbonyl)amino]-4-fluorobenzoic acid
SMILESNC1(C(=O)Nc2cc(F)ccc2C(=O)O)CCCC1
InChIInChI=1S/C13H15FN2O3/c14-8-3-4-9(11(17)18)10(7-8)16-12(19)13(15)5-1-2-6-13/h3-4,7H,1-2,5-6,15H2,(H,16,19)(H,17,18)
InChIKeyBMYRSCJUPFILTQ-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-aminocyclobutanecarbonyl)amino]-4-chlorobenzoic acid
CID 81171627
methyl 2-[(1-aminocyclopropanecarbonyl)amino]-4-fluorobenzoate
CID 65464443
methyl 2-[(1-aminocyclobutanecarbonyl)amino]-5-fluorobenzoate
CID 81179732
2-[(1-aminocyclohexanecarbonyl)amino]-5-methylbenzoic acid
CID 61159058
1-amino-N-(2,4,5-trifluorophenyl)cyclopentane-1-carboxamide
CID 62816762
1-amino-N-(5-chloro-2-fluorophenyl)cyclopentane-1-carboxamide
CID 54925189
2-[(4-aminooxane-4-carbonyl)amino]-4-chlorobenzoic acid
CID 115294490
2-[(1-aminocyclohexanecarbonyl)amino]-5-methoxybenzoic acid
CID 115411455
1-amino-N-(4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119261942
2-(azocane-1-carbonylamino)-4-fluorobenzoic acid
CID 61200169
5-fluoro-2-[(1-methylcyclohexanecarbonyl)amino]benzoic acid
CID 106826165
4-fluoro-2-[[2-(4-hydroxyphenyl)acetyl]amino]benzoic acid
CID 28934222

Frequently Asked Questions

What is the IUPAC name of 2-[(1-aminocyclopentanecarbonyl)amino]-4-fluorobenzoic acid?
The IUPAC name of 2-[(1-aminocyclopentanecarbonyl)amino]-4-fluorobenzoic acid (CID 61157387) is 2-[(1-aminocyclopentanecarbonyl)amino]-4-fluorobenzoic acid.
What is the SMILES notation for 2-[(1-aminocyclopentanecarbonyl)amino]-4-fluorobenzoic acid?
The canonical SMILES for 2-[(1-aminocyclopentanecarbonyl)amino]-4-fluorobenzoic acid is NC1(C(=O)Nc2cc(F)ccc2C(=O)O)CCCC1.
What is the InChIKey of 2-[(1-aminocyclopentanecarbonyl)amino]-4-fluorobenzoic acid?
The InChIKey is BMYRSCJUPFILTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c14-8-3-4-9(11(17)18)10(7-8)16-12(19)13(15)5-1-2-6-13/h3-4,7H,1-2,5-6,15H2,(H,16,19)(H,17,18).
What are the key properties of 2-[(1-aminocyclopentanecarbonyl)amino]-4-fluorobenzoic acid?
2-[(1-aminocyclopentanecarbonyl)amino]-4-fluorobenzoic acid has a molecular weight of 266.27 g/mol, XLogP of 1.73, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-aminocyclopentanecarbonyl)amino]-4-fluorobenzoic acid is sourced from PubChem (CID 61157387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).