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

C12H15FN2O3 — CID 64949676

IUPAC(2R)-2-[(3-fluoropyridine-4-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)c1ccncc1F)C(=O)O
InChIInChI=1S/C12H15FN2O3/c1-7(2)5-10(12(17)18)15-11(16)8-3-4-14-6-9(8)13/h3-4,6-7,10H,5H2,1-2H3,(H,15,16)(H,17,18)/t10-/m1/s1
InChIKeyZIEZEWHGIIVREV-SNVBAGLBSA-N
MW254.26 g/mol
LogP1.45
Rot. Bonds5

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

(2R)-2-[(3-fluoropyridine-4-carbonyl)amino]-4-methylpentanoic acid (PubChem CID 64949676) has the molecular formula C12H15FN2O3 and a molecular weight of 254.26 g/mol. Its IUPAC name is (2R)-2-[(3-fluoropyridine-4-carbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3-fluoropyridine-4-carbonyl)amino]-4-methylpentanoic acid
PubChem CID64949676
Molecular FormulaC12H15FN2O3
Molecular Weight254.26 g/mol
Exact Mass254.11
IUPAC Name(2R)-2-[(3-fluoropyridine-4-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)c1ccncc1F)C(=O)O
InChIInChI=1S/C12H15FN2O3/c1-7(2)5-10(12(17)18)15-11(16)8-3-4-14-6-9(8)13/h3-4,6-7,10H,5H2,1-2H3,(H,15,16)(H,17,18)/t10-/m1/s1
InChIKeyZIEZEWHGIIVREV-SNVBAGLBSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-fluoropyridine-4-carbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[(3-fluoropyridine-4-carbonyl)amino]-4-methylpentanoic acid (CID 64949676) is (2R)-2-[(3-fluoropyridine-4-carbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[(3-fluoropyridine-4-carbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[(3-fluoropyridine-4-carbonyl)amino]-4-methylpentanoic acid is CC(C)C[C@@H](NC(=O)c1ccncc1F)C(=O)O.
What is the InChIKey of (2R)-2-[(3-fluoropyridine-4-carbonyl)amino]-4-methylpentanoic acid?
The InChIKey is ZIEZEWHGIIVREV-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15FN2O3/c1-7(2)5-10(12(17)18)15-11(16)8-3-4-14-6-9(8)13/h3-4,6-7,10H,5H2,1-2H3,(H,15,16)(H,17,18)/t10-/m1/s1.
What are the key properties of (2R)-2-[(3-fluoropyridine-4-carbonyl)amino]-4-methylpentanoic acid?
(2R)-2-[(3-fluoropyridine-4-carbonyl)amino]-4-methylpentanoic acid has a molecular weight of 254.26 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-fluoropyridine-4-carbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 64949676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).