3-[(2-fluoropyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid

C12H13FN2O3 — CID 114036906

IUPAC3-[(2-fluoropyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)C1)c1ccnc(F)c1
InChIInChI=1S/C12H13FN2O3/c13-10-6-7(3-4-14-10)11(16)15-9-2-1-8(5-9)12(17)18/h3-4,6,8-9H,1-2,5H2,(H,15,16)(H,17,18)
InChIKeyQRLGONWSHZJDLM-UHFFFAOYSA-N
MW252.24 g/mol
LogP1.20
Rot. Bonds3

About 3-[(2-fluoropyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid

3-[(2-fluoropyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 114036906) has the molecular formula C12H13FN2O3 and a molecular weight of 252.24 g/mol. Its IUPAC name is 3-[(2-fluoropyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2-fluoropyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID114036906
Molecular FormulaC12H13FN2O3
Molecular Weight252.24 g/mol
Exact Mass252.09
IUPAC Name3-[(2-fluoropyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)C1)c1ccnc(F)c1
InChIInChI=1S/C12H13FN2O3/c13-10-6-7(3-4-14-10)11(16)15-9-2-1-8(5-9)12(17)18/h3-4,6,8-9H,1-2,5H2,(H,15,16)(H,17,18)
InChIKeyQRLGONWSHZJDLM-UHFFFAOYSA-N
XLogP1.20
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 51.20
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

3-[(2-chloropyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 103932881
N-cyclohexyl-2-fluoropyridine-4-carboxamide
CID 59355741
cis-(1R,3S)-3-[(2-cyclohexyloxypyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120678191
3-[(3-fluoro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032533
cis-(1R,3S)-3-[(4-fluoro-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 97318365
3-[(2-fluoropyridine-4-carbonyl)amino]pyrrolidine-1-carboxylic acid
CID 122590844
N-cyclohexyl-2-fluoropyridine-4-carboxamide;1,1-diiodoethane
CID 144683851
N-[2-(cyclopropanecarbonylamino)ethyl]-2-fluoropyridine-4-carboxamide
CID 115598986
cis-(1R,3S)-3-[(3-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320931
cis-(1R,3S)-3-[(3-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320533
cis-(1R,3S)-3-[(3-carbamoylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320083
3-[[3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 66030146

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluoropyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(2-fluoropyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 114036906) is 3-[(2-fluoropyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(2-fluoropyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(2-fluoropyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid is O=C(NC1CCC(C(=O)O)C1)c1ccnc(F)c1.
What is the InChIKey of 3-[(2-fluoropyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is QRLGONWSHZJDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O3/c13-10-6-7(3-4-14-10)11(16)15-9-2-1-8(5-9)12(17)18/h3-4,6,8-9H,1-2,5H2,(H,15,16)(H,17,18).
What are the key properties of 3-[(2-fluoropyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
3-[(2-fluoropyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 252.24 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluoropyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114036906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).