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

C13H15FN2O3 — CID 82760270

IUPAC2-[(3-fluoropyridine-4-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NC(=O)c1ccncc1F
InChIInChI=1S/C13H15FN2O3/c1-13(12(18)19)5-2-3-10(13)16-11(17)8-4-6-15-7-9(8)14/h4,6-7,10H,2-3,5H2,1H3,(H,16,17)(H,18,19)
InChIKeyIYAVHBHAMZRPOS-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.59
Rot. Bonds3

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

2-[(3-fluoropyridine-4-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid (PubChem CID 82760270) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is 2-[(3-fluoropyridine-4-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-fluoropyridine-4-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
PubChem CID82760270
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Name2-[(3-fluoropyridine-4-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NC(=O)c1ccncc1F
InChIInChI=1S/C13H15FN2O3/c1-13(12(18)19)5-2-3-10(13)16-11(17)8-4-6-15-7-9(8)14/h4,6-7,10H,2-3,5H2,1H3,(H,16,17)(H,18,19)
InChIKeyIYAVHBHAMZRPOS-UHFFFAOYSA-N
XLogP1.59
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoropyridine-4-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(3-fluoropyridine-4-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid (CID 82760270) is 2-[(3-fluoropyridine-4-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(3-fluoropyridine-4-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(3-fluoropyridine-4-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid is CC1(C(=O)O)CCCC1NC(=O)c1ccncc1F.
What is the InChIKey of 2-[(3-fluoropyridine-4-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is IYAVHBHAMZRPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c1-13(12(18)19)5-2-3-10(13)16-11(17)8-4-6-15-7-9(8)14/h4,6-7,10H,2-3,5H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(3-fluoropyridine-4-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid?
2-[(3-fluoropyridine-4-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 266.27 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoropyridine-4-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 82760270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).