2-[(5-chloropyrazine-2-carbonyl)-methylamino]butanoic acid

C10H12ClN3O3 — CID 107371495

IUPAC2-[(5-chloropyrazine-2-carbonyl)-methylamino]butanoic acid
SMILESCCC(C(=O)O)N(C)C(=O)c1cnc(Cl)cn1
InChIInChI=1S/C10H12ClN3O3/c1-3-7(10(16)17)14(2)9(15)6-4-13-8(11)5-12-6/h4-5,7H,3H2,1-2H3,(H,16,17)
InChIKeyVVHPPXQUVZDTMH-UHFFFAOYSA-N
MW257.68 g/mol
LogP1.07
Rot. Bonds4

About 2-[(5-chloropyrazine-2-carbonyl)-methylamino]butanoic acid

2-[(5-chloropyrazine-2-carbonyl)-methylamino]butanoic acid (PubChem CID 107371495) has the molecular formula C10H12ClN3O3 and a molecular weight of 257.68 g/mol. Its IUPAC name is 2-[(5-chloropyrazine-2-carbonyl)-methylamino]butanoic acid.

Molecular Properties

Compound Name2-[(5-chloropyrazine-2-carbonyl)-methylamino]butanoic acid
PubChem CID107371495
Molecular FormulaC10H12ClN3O3
Molecular Weight257.68 g/mol
Exact Mass257.06
IUPAC Name2-[(5-chloropyrazine-2-carbonyl)-methylamino]butanoic acid
SMILESCCC(C(=O)O)N(C)C(=O)c1cnc(Cl)cn1
InChIInChI=1S/C10H12ClN3O3/c1-3-7(10(16)17)14(2)9(15)6-4-13-8(11)5-12-6/h4-5,7H,3H2,1-2H3,(H,16,17)
InChIKeyVVHPPXQUVZDTMH-UHFFFAOYSA-N
XLogP1.07
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(5-chloropyrazine-2-carbonyl)-methylamino]butanoic 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 2-[(5-chloropyrazine-2-carbonyl)-methylamino]butanoic acid?
The IUPAC name of 2-[(5-chloropyrazine-2-carbonyl)-methylamino]butanoic acid (CID 107371495) is 2-[(5-chloropyrazine-2-carbonyl)-methylamino]butanoic acid.
What is the SMILES notation for 2-[(5-chloropyrazine-2-carbonyl)-methylamino]butanoic acid?
The canonical SMILES for 2-[(5-chloropyrazine-2-carbonyl)-methylamino]butanoic acid is CCC(C(=O)O)N(C)C(=O)c1cnc(Cl)cn1.
What is the InChIKey of 2-[(5-chloropyrazine-2-carbonyl)-methylamino]butanoic acid?
The InChIKey is VVHPPXQUVZDTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O3/c1-3-7(10(16)17)14(2)9(15)6-4-13-8(11)5-12-6/h4-5,7H,3H2,1-2H3,(H,16,17).
What are the key properties of 2-[(5-chloropyrazine-2-carbonyl)-methylamino]butanoic acid?
2-[(5-chloropyrazine-2-carbonyl)-methylamino]butanoic acid has a molecular weight of 257.68 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloropyrazine-2-carbonyl)-methylamino]butanoic acid is sourced from PubChem (CID 107371495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).