(2S,3S)-2-[(3-chloropyridine-4-carbonyl)amino]-3-methylpentanoic acid

C12H15ClN2O3 — CID 66462208

IUPAC(2S,3S)-2-[(3-chloropyridine-4-carbonyl)amino]-3-methylpentanoic acid
SMILESCC[C@H](C)[C@H](NC(=O)c1ccncc1Cl)C(=O)O
InChIInChI=1S/C12H15ClN2O3/c1-3-7(2)10(12(17)18)15-11(16)8-4-5-14-6-9(8)13/h4-7,10H,3H2,1-2H3,(H,15,16)(H,17,18)/t7-,10-/m0/s1
InChIKeyJJJWRUWEIMQWPO-XVKPBYJWSA-N
MW270.72 g/mol
LogP1.96
Rot. Bonds5

About (2S,3S)-2-[(3-chloropyridine-4-carbonyl)amino]-3-methylpentanoic acid

(2S,3S)-2-[(3-chloropyridine-4-carbonyl)amino]-3-methylpentanoic acid (PubChem CID 66462208) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is (2S,3S)-2-[(3-chloropyridine-4-carbonyl)amino]-3-methylpentanoic acid.

Molecular Properties

Compound Name(2S,3S)-2-[(3-chloropyridine-4-carbonyl)amino]-3-methylpentanoic acid
PubChem CID66462208
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name(2S,3S)-2-[(3-chloropyridine-4-carbonyl)amino]-3-methylpentanoic acid
SMILESCC[C@H](C)[C@H](NC(=O)c1ccncc1Cl)C(=O)O
InChIInChI=1S/C12H15ClN2O3/c1-3-7(2)10(12(17)18)15-11(16)8-4-5-14-6-9(8)13/h4-7,10H,3H2,1-2H3,(H,15,16)(H,17,18)/t7-,10-/m0/s1
InChIKeyJJJWRUWEIMQWPO-XVKPBYJWSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,3S)-2-[(3-chloropyridine-4-carbonyl)amino]-3-methylpentanoic 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

(2S,3R)-2-[(3-chloropyridine-4-carbonyl)amino]-3-hydroxybutanoic acid
CID 104964857
(2S)-2-[(3-chloropyridine-4-carbonyl)amino]propanoic acid
CID 66462207
(2S)-2-[(4-bromo-2-chlorobenzoyl)amino]-3-methylpentanoic acid
CID 61172061
3-chloro-N-[(2S)-1-hydroxypropan-2-yl]pyridine-4-carboxamide
CID 66483785
(2S)-2-[(2-chlorofuran-3-carbonyl)amino]-3-methylpentanoic acid
CID 106683406
(2R)-2-[(3-chloropyridine-4-carbonyl)amino]-3-hydroxypropanoic acid
CID 80750607
3-chloro-N-[(3S)-2-methyl-2-phenylpentan-3-yl]pyridine-4-carboxamide
CID 95905491
(2R,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoic acid
CID 2363261
N-(1-amino-1-oxopropan-2-yl)-3-chloropyridine-4-carboxamide
CID 66464223
3-chloro-N-[1-(dimethylamino)propan-2-yl]pyridine-4-carboxamide
CID 82939115
N-[1-(4-bromophenyl)propyl]-3-chloropyridine-4-carboxamide
CID 66484299
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-chloropyridine-4-carboxamide
CID 77135153

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[(3-chloropyridine-4-carbonyl)amino]-3-methylpentanoic acid?
The IUPAC name of (2S,3S)-2-[(3-chloropyridine-4-carbonyl)amino]-3-methylpentanoic acid (CID 66462208) is (2S,3S)-2-[(3-chloropyridine-4-carbonyl)amino]-3-methylpentanoic acid.
What is the SMILES notation for (2S,3S)-2-[(3-chloropyridine-4-carbonyl)amino]-3-methylpentanoic acid?
The canonical SMILES for (2S,3S)-2-[(3-chloropyridine-4-carbonyl)amino]-3-methylpentanoic acid is CC[C@H](C)[C@H](NC(=O)c1ccncc1Cl)C(=O)O.
What is the InChIKey of (2S,3S)-2-[(3-chloropyridine-4-carbonyl)amino]-3-methylpentanoic acid?
The InChIKey is JJJWRUWEIMQWPO-XVKPBYJWSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-3-7(2)10(12(17)18)15-11(16)8-4-5-14-6-9(8)13/h4-7,10H,3H2,1-2H3,(H,15,16)(H,17,18)/t7-,10-/m0/s1.
What are the key properties of (2S,3S)-2-[(3-chloropyridine-4-carbonyl)amino]-3-methylpentanoic acid?
(2S,3S)-2-[(3-chloropyridine-4-carbonyl)amino]-3-methylpentanoic acid has a molecular weight of 270.72 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[(3-chloropyridine-4-carbonyl)amino]-3-methylpentanoic acid is sourced from PubChem (CID 66462208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).