2-[(2-amino-1-methylcyclopentanecarbonyl)amino]-3-fluorobenzoic acid

C14H17FN2O3 — CID 82767830

IUPAC2-[(2-amino-1-methylcyclopentanecarbonyl)amino]-3-fluorobenzoic acid
SMILESCC1(C(=O)Nc2c(F)cccc2C(=O)O)CCCC1N
InChIInChI=1S/C14H17FN2O3/c1-14(7-3-6-10(14)16)13(20)17-11-8(12(18)19)4-2-5-9(11)15/h2,4-5,10H,3,6-7,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyPDVBTUJPJCRKJT-UHFFFAOYSA-N
MW280.30 g/mol
LogP1.98
Rot. Bonds3

About 2-[(2-amino-1-methylcyclopentanecarbonyl)amino]-3-fluorobenzoic acid

2-[(2-amino-1-methylcyclopentanecarbonyl)amino]-3-fluorobenzoic acid (PubChem CID 82767830) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 2-[(2-amino-1-methylcyclopentanecarbonyl)amino]-3-fluorobenzoic acid.

Molecular Properties

Compound Name2-[(2-amino-1-methylcyclopentanecarbonyl)amino]-3-fluorobenzoic acid
PubChem CID82767830
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name2-[(2-amino-1-methylcyclopentanecarbonyl)amino]-3-fluorobenzoic acid
SMILESCC1(C(=O)Nc2c(F)cccc2C(=O)O)CCCC1N
InChIInChI=1S/C14H17FN2O3/c1-14(7-3-6-10(14)16)13(20)17-11-8(12(18)19)4-2-5-9(11)15/h2,4-5,10H,3,6-7,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyPDVBTUJPJCRKJT-UHFFFAOYSA-N
XLogP1.98
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-3-fluorobenzoic acid
CID 115435469
2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]-3-fluorobenzoic acid
CID 115438100
2-amino-N-(3-fluorophenyl)-1-methylcyclopentane-1-carboxamide
CID 82765588
2-[(2-amino-1-methylcyclopentanecarbonyl)amino]-4-chlorobenzoic acid
CID 82768134
2-[2-[(2-amino-1-methylcyclopentanecarbonyl)amino]ethyl]benzoic acid
CID 82759376
2-[(2-cycloheptylacetyl)amino]-3-fluorobenzoic acid
CID 114457210
2-amino-N-(6-chloro-2-pyridinyl)-1-methylcyclopentane-1-carboxamide
CID 82767561
2-amino-N-(2-ethylphenyl)-1-methylcyclopentane-1-carboxamide
CID 82765748
3-fluoro-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]benzoic acid
CID 81498008
2-amino-N-(3-fluoro-4-nitrophenyl)-1-methylcyclopentane-1-carboxamide
CID 82768378
2-amino-N-[(3-fluorophenyl)methyl]-1-methylcyclopentane-1-carboxamide
CID 82763607
2-amino-N-(4-bromo-2-methylphenyl)-1-methylcyclopentane-1-carboxamide
CID 82764963

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-1-methylcyclopentanecarbonyl)amino]-3-fluorobenzoic acid?
The IUPAC name of 2-[(2-amino-1-methylcyclopentanecarbonyl)amino]-3-fluorobenzoic acid (CID 82767830) is 2-[(2-amino-1-methylcyclopentanecarbonyl)amino]-3-fluorobenzoic acid.
What is the SMILES notation for 2-[(2-amino-1-methylcyclopentanecarbonyl)amino]-3-fluorobenzoic acid?
The canonical SMILES for 2-[(2-amino-1-methylcyclopentanecarbonyl)amino]-3-fluorobenzoic acid is CC1(C(=O)Nc2c(F)cccc2C(=O)O)CCCC1N.
What is the InChIKey of 2-[(2-amino-1-methylcyclopentanecarbonyl)amino]-3-fluorobenzoic acid?
The InChIKey is PDVBTUJPJCRKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-14(7-3-6-10(14)16)13(20)17-11-8(12(18)19)4-2-5-9(11)15/h2,4-5,10H,3,6-7,16H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 2-[(2-amino-1-methylcyclopentanecarbonyl)amino]-3-fluorobenzoic acid?
2-[(2-amino-1-methylcyclopentanecarbonyl)amino]-3-fluorobenzoic acid has a molecular weight of 280.30 g/mol, XLogP of 1.98, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-1-methylcyclopentanecarbonyl)amino]-3-fluorobenzoic acid is sourced from PubChem (CID 82767830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).