1-[[(2-fluoropyridine-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid

C13H15FN2O3 — CID 114037106

IUPAC1-[[(2-fluoropyridine-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCCC1)c1ccnc(F)c1
InChIInChI=1S/C13H15FN2O3/c14-10-7-9(3-6-15-10)11(17)16-8-13(12(18)19)4-1-2-5-13/h3,6-7H,1-2,4-5,8H2,(H,16,17)(H,18,19)
InChIKeyZAMMQKSPJQMMPZ-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.60
Rot. Bonds4

About 1-[[(2-fluoropyridine-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid

1-[[(2-fluoropyridine-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 114037106) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is 1-[[(2-fluoropyridine-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(2-fluoropyridine-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID114037106
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Name1-[[(2-fluoropyridine-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCCC1)c1ccnc(F)c1
InChIInChI=1S/C13H15FN2O3/c14-10-7-9(3-6-15-10)11(17)16-8-13(12(18)19)4-1-2-5-13/h3,6-7H,1-2,4-5,8H2,(H,16,17)(H,18,19)
InChIKeyZAMMQKSPJQMMPZ-UHFFFAOYSA-N
XLogP1.60
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[[[2-(aminomethyl)pyridine-4-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115433612
1-[[(3-fluoro-4-methylbenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81368916
1-[[(3-bromo-4-fluorobenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 103791307
1-[[(3,5-difluorobenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115435644
2-fluoro-N-[(3-hydroxythiolan-3-yl)methyl]pyridine-4-carboxamide
CID 111597214
1-[[(3,4-dihydroxybenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 107728192
1-[[(3-hydroxybenzoyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115443395
2-fluoro-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]pyridine-4-carboxamide
CID 111110496
1-[(2H-benzotriazole-5-carbonylamino)methyl]cyclobutane-1-carboxylic acid
CID 81362421
1-[[(5-fluoropyridine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 104638379
1-[[(6-chloropyridine-3-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115443369
1-[[[3-(pyridine-3-carbonylamino)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544310

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-fluoropyridine-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[(2-fluoropyridine-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid (CID 114037106) is 1-[[(2-fluoropyridine-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[(2-fluoropyridine-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[(2-fluoropyridine-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid is O=C(NCC1(C(=O)O)CCCC1)c1ccnc(F)c1.
What is the InChIKey of 1-[[(2-fluoropyridine-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is ZAMMQKSPJQMMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c14-10-7-9(3-6-15-10)11(17)16-8-13(12(18)19)4-1-2-5-13/h3,6-7H,1-2,4-5,8H2,(H,16,17)(H,18,19).
What are the key properties of 1-[[(2-fluoropyridine-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid?
1-[[(2-fluoropyridine-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 266.27 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-fluoropyridine-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114037106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).