2-[[2-(1-aminocyclopentyl)acetyl]amino]-5-fluorobenzoic acid

C14H17FN2O3 — CID 64677158

IUPAC2-[[2-(1-aminocyclopentyl)acetyl]amino]-5-fluorobenzoic acid
SMILESNC1(CC(=O)Nc2ccc(F)cc2C(=O)O)CCCC1
InChIInChI=1S/C14H17FN2O3/c15-9-3-4-11(10(7-9)13(19)20)17-12(18)8-14(16)5-1-2-6-14/h3-4,7H,1-2,5-6,8,16H2,(H,17,18)(H,19,20)
InChIKeyGONPAIYMJDETJR-UHFFFAOYSA-N
MW280.30 g/mol
LogP2.12
Rot. Bonds4

About 2-[[2-(1-aminocyclopentyl)acetyl]amino]-5-fluorobenzoic acid

2-[[2-(1-aminocyclopentyl)acetyl]amino]-5-fluorobenzoic acid (PubChem CID 64677158) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 2-[[2-(1-aminocyclopentyl)acetyl]amino]-5-fluorobenzoic acid.

Molecular Properties

Compound Name2-[[2-(1-aminocyclopentyl)acetyl]amino]-5-fluorobenzoic acid
PubChem CID64677158
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name2-[[2-(1-aminocyclopentyl)acetyl]amino]-5-fluorobenzoic acid
SMILESNC1(CC(=O)Nc2ccc(F)cc2C(=O)O)CCCC1
InChIInChI=1S/C14H17FN2O3/c15-9-3-4-11(10(7-9)13(19)20)17-12(18)8-14(16)5-1-2-6-14/h3-4,7H,1-2,5-6,8,16H2,(H,17,18)(H,19,20)
InChIKeyGONPAIYMJDETJR-UHFFFAOYSA-N
XLogP2.12
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminocyclohexyl)-N-(4-fluoro-2-iodophenyl)acetamide
CID 79766274
2-(1-aminocyclopentyl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 64683745
2-(1-aminocyclopentyl)-N-(2-fluorophenyl)acetamide
CID 64685138
2-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-5-fluorobenzoic acid
CID 113312903
5-fluoro-2-[(1-methylcyclohexanecarbonyl)amino]benzoic acid
CID 106826165
5-fluoro-2-[(1-methylcyclopentyl)methylcarbamoylamino]benzoic acid
CID 63831445
3-[[2-(1-aminocyclohexyl)acetyl]amino]-2-methylbenzoic acid
CID 64683801
4-[[2-(1-aminocyclopentyl)acetyl]amino]-2-methylbenzoic acid
CID 64676821
2-(1-aminocyclobutyl)-N-(2,4,5-trifluorophenyl)acetamide
CID 79853699
5-fluoro-2-(3,3,3-trifluoropropanoylamino)benzoic acid
CID 24711242
2-(1-aminocyclopentyl)-1-(2-chloro-5-fluorophenyl)ethanone
CID 105396478
2-(6-aminohexanoylamino)-5-fluorobenzoic acid
CID 61157607

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-aminocyclopentyl)acetyl]amino]-5-fluorobenzoic acid?
The IUPAC name of 2-[[2-(1-aminocyclopentyl)acetyl]amino]-5-fluorobenzoic acid (CID 64677158) is 2-[[2-(1-aminocyclopentyl)acetyl]amino]-5-fluorobenzoic acid.
What is the SMILES notation for 2-[[2-(1-aminocyclopentyl)acetyl]amino]-5-fluorobenzoic acid?
The canonical SMILES for 2-[[2-(1-aminocyclopentyl)acetyl]amino]-5-fluorobenzoic acid is NC1(CC(=O)Nc2ccc(F)cc2C(=O)O)CCCC1.
What is the InChIKey of 2-[[2-(1-aminocyclopentyl)acetyl]amino]-5-fluorobenzoic acid?
The InChIKey is GONPAIYMJDETJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c15-9-3-4-11(10(7-9)13(19)20)17-12(18)8-14(16)5-1-2-6-14/h3-4,7H,1-2,5-6,8,16H2,(H,17,18)(H,19,20).
What are the key properties of 2-[[2-(1-aminocyclopentyl)acetyl]amino]-5-fluorobenzoic acid?
2-[[2-(1-aminocyclopentyl)acetyl]amino]-5-fluorobenzoic acid has a molecular weight of 280.30 g/mol, XLogP of 2.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-aminocyclopentyl)acetyl]amino]-5-fluorobenzoic acid is sourced from PubChem (CID 64677158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).