3-[(5-chloropyridine-2-carbonyl)amino]-3-methylbutanoic acid

C11H13ClN2O3 — CID 64671499

IUPAC3-[(5-chloropyridine-2-carbonyl)amino]-3-methylbutanoic acid
SMILESCC(C)(CC(=O)O)NC(=O)c1ccc(Cl)cn1
InChIInChI=1S/C11H13ClN2O3/c1-11(2,5-9(15)16)14-10(17)8-4-3-7(12)6-13-8/h3-4,6H,5H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyYYXGVEGSICFQDZ-UHFFFAOYSA-N
MW256.69 g/mol
LogP1.72
Rot. Bonds4

About 3-[(5-chloropyridine-2-carbonyl)amino]-3-methylbutanoic acid

3-[(5-chloropyridine-2-carbonyl)amino]-3-methylbutanoic acid (PubChem CID 64671499) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is 3-[(5-chloropyridine-2-carbonyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name3-[(5-chloropyridine-2-carbonyl)amino]-3-methylbutanoic acid
PubChem CID64671499
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC Name3-[(5-chloropyridine-2-carbonyl)amino]-3-methylbutanoic acid
SMILESCC(C)(CC(=O)O)NC(=O)c1ccc(Cl)cn1
InChIInChI=1S/C11H13ClN2O3/c1-11(2,5-9(15)16)14-10(17)8-4-3-7(12)6-13-8/h3-4,6H,5H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyYYXGVEGSICFQDZ-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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Related Compounds

5-chloro-N-(1-chloro-2-methylpropan-2-yl)pyridine-2-carboxamide
CID 114295004
2-[(5-chloropyridine-2-carbonyl)amino]-2-methylbutanoic acid
CID 79793461
3-[(6-chloropyridine-3-carbonyl)amino]-3-methylbutanoic acid
CID 64670517
3-methyl-3-(quinoxaline-2-carbonylamino)butanoic acid
CID 64670341
6-(2-methylbutan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 43427297
3-[(2,6-dichlorobenzoyl)amino]-3-methylbutanoic acid
CID 64670872
3-[(4-chloro-2-methoxybenzoyl)amino]-3-methylbutanoic acid
CID 64672649
3-methyl-3-[(2,3,4-trifluorobenzoyl)amino]butanoic acid
CID 79749914
5-amino-N-(2-methylbutan-2-yl)pyridine-2-carboxamide
CID 81319675
1-(5-chloro-2-pyridinyl)butane-1,2-dione
CID 177314463
3-[(2-chloro-4,5-difluorobenzoyl)amino]-3-methylbutanoic acid
CID 64672306
methyl 5-chloropyridine-2-carboxylate
CID 11298216

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloropyridine-2-carbonyl)amino]-3-methylbutanoic acid?
The IUPAC name of 3-[(5-chloropyridine-2-carbonyl)amino]-3-methylbutanoic acid (CID 64671499) is 3-[(5-chloropyridine-2-carbonyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for 3-[(5-chloropyridine-2-carbonyl)amino]-3-methylbutanoic acid?
The canonical SMILES for 3-[(5-chloropyridine-2-carbonyl)amino]-3-methylbutanoic acid is CC(C)(CC(=O)O)NC(=O)c1ccc(Cl)cn1.
What is the InChIKey of 3-[(5-chloropyridine-2-carbonyl)amino]-3-methylbutanoic acid?
The InChIKey is YYXGVEGSICFQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3/c1-11(2,5-9(15)16)14-10(17)8-4-3-7(12)6-13-8/h3-4,6H,5H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 3-[(5-chloropyridine-2-carbonyl)amino]-3-methylbutanoic acid?
3-[(5-chloropyridine-2-carbonyl)amino]-3-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 3-[(5-chloropyridine-2-carbonyl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 64671499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).