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

C10H12ClN3O3 — CID 107371470

IUPAC(2S)-2-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbutanoic acid
SMILESCC(C)[C@H](NC(=O)c1cnc(Cl)cn1)C(=O)O
InChIInChI=1S/C10H12ClN3O3/c1-5(2)8(10(16)17)14-9(15)6-3-13-7(11)4-12-6/h3-5,8H,1-2H3,(H,14,15)(H,16,17)/t8-/m0/s1
InChIKeyJAUYLDSGZRSOEE-QMMMGPOBSA-N
MW257.68 g/mol
LogP0.97
Rot. Bonds4

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

(2S)-2-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbutanoic acid (PubChem CID 107371470) has the molecular formula C10H12ClN3O3 and a molecular weight of 257.68 g/mol. Its IUPAC name is (2S)-2-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbutanoic acid
PubChem CID107371470
Molecular FormulaC10H12ClN3O3
Molecular Weight257.68 g/mol
Exact Mass257.06
IUPAC Name(2S)-2-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbutanoic acid
SMILESCC(C)[C@H](NC(=O)c1cnc(Cl)cn1)C(=O)O
InChIInChI=1S/C10H12ClN3O3/c1-5(2)8(10(16)17)14-9(15)6-3-13-7(11)4-12-6/h3-5,8H,1-2H3,(H,14,15)(H,16,17)/t8-/m0/s1
InChIKeyJAUYLDSGZRSOEE-QMMMGPOBSA-N
XLogP0.97
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbutanoic 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

2-[(5-chloropyrazine-2-carbonyl)amino]propanoic acid
CID 107371387
tert-butyl (2R)-2-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbutanoate
CID 107258038
(2S)-2-[(5-bromopyridine-2-carbonyl)amino]-3-methylbutanoic acid
CID 55154383
2-[(6-chloropyridine-3-carbonyl)amino]-3-methylbutanoic acid
CID 43091866
5-chloro-N-(2-methyl-1-phenylpropyl)pyrazine-2-carboxamide
CID 103817083
5-chloro-N-[(2S)-1-hydroxypropan-2-yl]pyrazine-2-carboxamide
CID 107258262
(2R)-2-[(2,5-dichloropyridine-4-carbonyl)amino]-3-methylbutanoic acid
CID 114036881
2-[(5-chloropyrazine-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 107371398
5-chloro-N-(1,1-dimethoxypropan-2-yl)pyrazine-2-carboxamide
CID 107372068
5-chloro-N-[1-(dimethylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide
CID 107249224
5-chloro-N-[4-(dimethylamino)butan-2-yl]pyrazine-2-carboxamide
CID 107257919
5-chloro-N-[1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide
CID 107244492

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbutanoic acid?
The IUPAC name of (2S)-2-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbutanoic acid (CID 107371470) is (2S)-2-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for (2S)-2-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbutanoic acid?
The canonical SMILES for (2S)-2-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbutanoic acid is CC(C)[C@H](NC(=O)c1cnc(Cl)cn1)C(=O)O.
What is the InChIKey of (2S)-2-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbutanoic acid?
The InChIKey is JAUYLDSGZRSOEE-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H12ClN3O3/c1-5(2)8(10(16)17)14-9(15)6-3-13-7(11)4-12-6/h3-5,8H,1-2H3,(H,14,15)(H,16,17)/t8-/m0/s1.
What are the key properties of (2S)-2-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbutanoic acid?
(2S)-2-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbutanoic acid has a molecular weight of 257.68 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 107371470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).