2-[(5-chloropyridine-2-carbonyl)amino]-2-methylbutanoic acid

C11H13ClN2O3 — CID 79793461

IUPAC2-[(5-chloropyridine-2-carbonyl)amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)c1ccc(Cl)cn1)C(=O)O
InChIInChI=1S/C11H13ClN2O3/c1-3-11(2,10(16)17)14-9(15)8-5-4-7(12)6-13-8/h4-6H,3H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyVKKPDSWDCZZRQE-UHFFFAOYSA-N
MW256.69 g/mol
LogP1.72
Rot. Bonds4

About 2-[(5-chloropyridine-2-carbonyl)amino]-2-methylbutanoic acid

2-[(5-chloropyridine-2-carbonyl)amino]-2-methylbutanoic acid (PubChem CID 79793461) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is 2-[(5-chloropyridine-2-carbonyl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[(5-chloropyridine-2-carbonyl)amino]-2-methylbutanoic acid
PubChem CID79793461
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC Name2-[(5-chloropyridine-2-carbonyl)amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)c1ccc(Cl)cn1)C(=O)O
InChIInChI=1S/C11H13ClN2O3/c1-3-11(2,10(16)17)14-9(15)8-5-4-7(12)6-13-8/h4-6H,3H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyVKKPDSWDCZZRQE-UHFFFAOYSA-N
XLogP1.72
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloropyridine-2-carbonyl)amino]-2-methylbutanoic acid?
The IUPAC name of 2-[(5-chloropyridine-2-carbonyl)amino]-2-methylbutanoic acid (CID 79793461) is 2-[(5-chloropyridine-2-carbonyl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[(5-chloropyridine-2-carbonyl)amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[(5-chloropyridine-2-carbonyl)amino]-2-methylbutanoic acid is CCC(C)(NC(=O)c1ccc(Cl)cn1)C(=O)O.
What is the InChIKey of 2-[(5-chloropyridine-2-carbonyl)amino]-2-methylbutanoic acid?
The InChIKey is VKKPDSWDCZZRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3/c1-3-11(2,10(16)17)14-9(15)8-5-4-7(12)6-13-8/h4-6H,3H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-[(5-chloropyridine-2-carbonyl)amino]-2-methylbutanoic acid?
2-[(5-chloropyridine-2-carbonyl)amino]-2-methylbutanoic acid has a molecular weight of 256.69 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloropyridine-2-carbonyl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 79793461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).