(2R)-4-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid

C11H15N3O4 — CID 28788867

IUPAC(2R)-4-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)c1c[nH]c(=O)cn1)C(=O)O
InChIInChI=1S/C11H15N3O4/c1-6(2)3-7(11(17)18)14-10(16)8-4-13-9(15)5-12-8/h4-7H,3H2,1-2H3,(H,13,15)(H,14,16)(H,17,18)/t7-/m1/s1
InChIKeyCUZMNSNJGKOBCS-SSDOTTSWSA-N
MW253.26 g/mol
LogP-0.00
Rot. Bonds5

About (2R)-4-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid

(2R)-4-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid (PubChem CID 28788867) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is (2R)-4-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid
PubChem CID28788867
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name(2R)-4-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)c1c[nH]c(=O)cn1)C(=O)O
InChIInChI=1S/C11H15N3O4/c1-6(2)3-7(11(17)18)14-10(16)8-4-13-9(15)5-12-8/h4-7H,3H2,1-2H3,(H,13,15)(H,14,16)(H,17,18)/t7-/m1/s1
InChIKeyCUZMNSNJGKOBCS-SSDOTTSWSA-N
XLogP-0.00
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-4-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid (CID 28788867) is (2R)-4-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid is CC(C)C[C@@H](NC(=O)c1c[nH]c(=O)cn1)C(=O)O.
What is the InChIKey of (2R)-4-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid?
The InChIKey is CUZMNSNJGKOBCS-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-6(2)3-7(11(17)18)14-10(16)8-4-13-9(15)5-12-8/h4-7H,3H2,1-2H3,(H,13,15)(H,14,16)(H,17,18)/t7-/m1/s1.
What are the key properties of (2R)-4-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid?
(2R)-4-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid has a molecular weight of 253.26 g/mol, XLogP of -0.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 28788867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).