2-[(4-chloropyridine-3-carbonyl)amino]-2-ethylbutanoic acid

C12H15ClN2O3 — CID 114037008

IUPAC2-[(4-chloropyridine-3-carbonyl)amino]-2-ethylbutanoic acid
SMILESCCC(CC)(NC(=O)c1cnccc1Cl)C(=O)O
InChIInChI=1S/C12H15ClN2O3/c1-3-12(4-2,11(17)18)15-10(16)8-7-14-6-5-9(8)13/h5-7H,3-4H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyKJFBTEYTKOOGKR-UHFFFAOYSA-N
MW270.72 g/mol
LogP2.11
Rot. Bonds5

About 2-[(4-chloropyridine-3-carbonyl)amino]-2-ethylbutanoic acid

2-[(4-chloropyridine-3-carbonyl)amino]-2-ethylbutanoic acid (PubChem CID 114037008) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is 2-[(4-chloropyridine-3-carbonyl)amino]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[(4-chloropyridine-3-carbonyl)amino]-2-ethylbutanoic acid
PubChem CID114037008
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name2-[(4-chloropyridine-3-carbonyl)amino]-2-ethylbutanoic acid
SMILESCCC(CC)(NC(=O)c1cnccc1Cl)C(=O)O
InChIInChI=1S/C12H15ClN2O3/c1-3-12(4-2,11(17)18)15-10(16)8-7-14-6-5-9(8)13/h5-7H,3-4H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyKJFBTEYTKOOGKR-UHFFFAOYSA-N
XLogP2.11
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(4-chloropyridine-3-carbonyl)amino]-2-ethylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-(3-methylpentan-3-yl)pyridine-3-carboxamide
CID 103875358
2-[(2-chlorofuran-3-carbonyl)amino]-2-ethylbutanoic acid
CID 106683547
2-[(2-chloro-4,5-difluorobenzoyl)amino]-2-ethylbutanoic acid
CID 79807166
2-ethyl-2-(pyrimidine-5-carbonylamino)butanoic acid
CID 102921592
2-ethyl-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]butanoic acid
CID 79806199
4-chloro-N-(2-methylpentan-3-yl)pyridine-3-carboxamide
CID 81226748
4-chloro-N-methoxypyridine-3-carboxamide
CID 103871256
2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-ethylbutanoic acid
CID 79806439
N-(3-carbamothioylpentan-3-yl)-3-fluoropyridine-4-carboxamide
CID 64950085
3-chloro-N-[(3S)-1-hydroxy-3-methylpentan-3-yl]pyridine-4-carboxamide
CID 97340426
N-(1-bromo-2-methylbutan-2-yl)-3-chloropyridine-4-carboxamide
CID 114314442
4-chloro-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyridine-3-carboxamide
CID 81229203

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloropyridine-3-carbonyl)amino]-2-ethylbutanoic acid?
The IUPAC name of 2-[(4-chloropyridine-3-carbonyl)amino]-2-ethylbutanoic acid (CID 114037008) is 2-[(4-chloropyridine-3-carbonyl)amino]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[(4-chloropyridine-3-carbonyl)amino]-2-ethylbutanoic acid?
The canonical SMILES for 2-[(4-chloropyridine-3-carbonyl)amino]-2-ethylbutanoic acid is CCC(CC)(NC(=O)c1cnccc1Cl)C(=O)O.
What is the InChIKey of 2-[(4-chloropyridine-3-carbonyl)amino]-2-ethylbutanoic acid?
The InChIKey is KJFBTEYTKOOGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-3-12(4-2,11(17)18)15-10(16)8-7-14-6-5-9(8)13/h5-7H,3-4H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(4-chloropyridine-3-carbonyl)amino]-2-ethylbutanoic acid?
2-[(4-chloropyridine-3-carbonyl)amino]-2-ethylbutanoic acid has a molecular weight of 270.72 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloropyridine-3-carbonyl)amino]-2-ethylbutanoic acid is sourced from PubChem (CID 114037008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).