2-[(2-fluoropyridine-3-carbonyl)amino]-2-methylpentanoic acid

C12H15FN2O3 — CID 114037475

IUPAC2-[(2-fluoropyridine-3-carbonyl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)c1cccnc1F)C(=O)O
InChIInChI=1S/C12H15FN2O3/c1-3-6-12(2,11(17)18)15-10(16)8-5-4-7-14-9(8)13/h4-5,7H,3,6H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyXMGCPWNHKBKRSR-UHFFFAOYSA-N
MW254.26 g/mol
LogP1.59
Rot. Bonds5

About 2-[(2-fluoropyridine-3-carbonyl)amino]-2-methylpentanoic acid

2-[(2-fluoropyridine-3-carbonyl)amino]-2-methylpentanoic acid (PubChem CID 114037475) has the molecular formula C12H15FN2O3 and a molecular weight of 254.26 g/mol. Its IUPAC name is 2-[(2-fluoropyridine-3-carbonyl)amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[(2-fluoropyridine-3-carbonyl)amino]-2-methylpentanoic acid
PubChem CID114037475
Molecular FormulaC12H15FN2O3
Molecular Weight254.26 g/mol
Exact Mass254.11
IUPAC Name2-[(2-fluoropyridine-3-carbonyl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)c1cccnc1F)C(=O)O
InChIInChI=1S/C12H15FN2O3/c1-3-6-12(2,11(17)18)15-10(16)8-5-4-7-14-9(8)13/h4-5,7H,3,6H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyXMGCPWNHKBKRSR-UHFFFAOYSA-N
XLogP1.59
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 51.59
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

N-tert-butyl-2-fluoropyridine-3-carboxamide
CID 83405548
4-[(2-fluoropyridine-3-carbonyl)amino]-4-methylpentanoic acid
CID 114037496
2-methyl-2-[(2,3,4-trifluorobenzoyl)amino]pentanoic acid
CID 79749694
2-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylpentanoic acid
CID 115298445
2-methyl-2-[(2-quinolin-8-ylacetyl)amino]pentanoic acid
CID 120517066
2-[(2,4-dichlorobenzoyl)amino]-2-methylpentanoic acid
CID 43618517
2-[(2-hydroxy-4-methylbenzoyl)amino]-2-methylpentanoic acid
CID 43618664
2-(imidazo[1,2-a]pyridine-6-carbonylamino)-2-methylpentanoic acid
CID 119192037
2-fluoro-N-(1-phenylbutyl)pyridine-3-carboxamide
CID 107358466
1-(2-fluoro-3-pyridinyl)-2,2-dimethylpropan-1-one
CID 58960984
2-methyl-2-(1H-pyrrole-2-carbonylamino)pentanoic acid
CID 43618481
2-[(5-bromopyridine-2-carbonyl)amino]-2-methylpentanoic acid
CID 62958243

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoropyridine-3-carbonyl)amino]-2-methylpentanoic acid?
The IUPAC name of 2-[(2-fluoropyridine-3-carbonyl)amino]-2-methylpentanoic acid (CID 114037475) is 2-[(2-fluoropyridine-3-carbonyl)amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[(2-fluoropyridine-3-carbonyl)amino]-2-methylpentanoic acid?
The canonical SMILES for 2-[(2-fluoropyridine-3-carbonyl)amino]-2-methylpentanoic acid is CCCC(C)(NC(=O)c1cccnc1F)C(=O)O.
What is the InChIKey of 2-[(2-fluoropyridine-3-carbonyl)amino]-2-methylpentanoic acid?
The InChIKey is XMGCPWNHKBKRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3/c1-3-6-12(2,11(17)18)15-10(16)8-5-4-7-14-9(8)13/h4-5,7H,3,6H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(2-fluoropyridine-3-carbonyl)amino]-2-methylpentanoic acid?
2-[(2-fluoropyridine-3-carbonyl)amino]-2-methylpentanoic acid has a molecular weight of 254.26 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoropyridine-3-carbonyl)amino]-2-methylpentanoic acid is sourced from PubChem (CID 114037475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).