4-[(2-fluoropyridine-3-carbonyl)amino]-4-methylpentanoic acid

C12H15FN2O3 — CID 114037496

IUPAC4-[(2-fluoropyridine-3-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)c1cccnc1F
InChIInChI=1S/C12H15FN2O3/c1-12(2,6-5-9(16)17)15-11(18)8-4-3-7-14-10(8)13/h3-4,7H,5-6H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyYQTFERNNJUABLP-UHFFFAOYSA-N
MW254.26 g/mol
LogP1.59
Rot. Bonds5

About 4-[(2-fluoropyridine-3-carbonyl)amino]-4-methylpentanoic acid

4-[(2-fluoropyridine-3-carbonyl)amino]-4-methylpentanoic acid (PubChem CID 114037496) has the molecular formula C12H15FN2O3 and a molecular weight of 254.26 g/mol. Its IUPAC name is 4-[(2-fluoropyridine-3-carbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[(2-fluoropyridine-3-carbonyl)amino]-4-methylpentanoic acid
PubChem CID114037496
Molecular FormulaC12H15FN2O3
Molecular Weight254.26 g/mol
Exact Mass254.11
IUPAC Name4-[(2-fluoropyridine-3-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)c1cccnc1F
InChIInChI=1S/C12H15FN2O3/c1-12(2,6-5-9(16)17)15-11(18)8-4-3-7-14-10(8)13/h3-4,7H,5-6H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyYQTFERNNJUABLP-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
2-[(2-fluoropyridine-3-carbonyl)amino]-2-methylpentanoic acid
CID 114037475
4-[(2,3-dihydroxybenzoyl)amino]-4-methylpentanoic acid
CID 114343317
6-[(2-fluoropyridine-3-carbonyl)amino]hexanoic acid
CID 114037457
4-methyl-4-(pyridine-4-carbonylamino)pentanoic acid
CID 62043256
4-[(3-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 62042184
1-(2-fluoro-3-pyridinyl)-2,2-dimethylpropan-1-one
CID 58960984
4-[(2,5-dimethylbenzoyl)amino]-4-methylpentanoic acid
CID 62044588
2-fluoro-N-propan-2-ylpyridine-3-carboxamide
CID 83404912
4-[(1,3-dimethylpyrazole-4-carbonyl)amino]-4-methylpentanoic acid
CID 103790571
4-[(2,4-dichlorobenzoyl)amino]-4-methylpentanoic acid
CID 62044139
4-[(2,6-dimethoxybenzoyl)amino]-4-methylpentanoic acid
CID 62041534

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoropyridine-3-carbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of 4-[(2-fluoropyridine-3-carbonyl)amino]-4-methylpentanoic acid (CID 114037496) is 4-[(2-fluoropyridine-3-carbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[(2-fluoropyridine-3-carbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 4-[(2-fluoropyridine-3-carbonyl)amino]-4-methylpentanoic acid is CC(C)(CCC(=O)O)NC(=O)c1cccnc1F.
What is the InChIKey of 4-[(2-fluoropyridine-3-carbonyl)amino]-4-methylpentanoic acid?
The InChIKey is YQTFERNNJUABLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3/c1-12(2,6-5-9(16)17)15-11(18)8-4-3-7-14-10(8)13/h3-4,7H,5-6H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 4-[(2-fluoropyridine-3-carbonyl)amino]-4-methylpentanoic acid?
4-[(2-fluoropyridine-3-carbonyl)amino]-4-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 4-[(2-fluoropyridine-3-carbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 114037496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).