2-cyclopropyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid

C11H13N3O4 — CID 43341230

IUPAC2-cyclopropyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)c1c[nH]c(=O)cn1)(C(=O)O)C1CC1
InChIInChI=1S/C11H13N3O4/c1-11(10(17)18,6-2-3-6)14-9(16)7-4-13-8(15)5-12-7/h4-6H,2-3H2,1H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeyIUGQHHTYAIBZAJ-UHFFFAOYSA-N
MW251.24 g/mol
LogP-0.25
Rot. Bonds4

About 2-cyclopropyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid

2-cyclopropyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid (PubChem CID 43341230) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
PubChem CID43341230
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name2-cyclopropyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)c1c[nH]c(=O)cn1)(C(=O)O)C1CC1
InChIInChI=1S/C11H13N3O4/c1-11(10(17)18,6-2-3-6)14-9(16)7-4-13-8(15)5-12-7/h4-6H,2-3H2,1H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeyIUGQHHTYAIBZAJ-UHFFFAOYSA-N
XLogP-0.25
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid with MolForge

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Related Compounds

(2R)-4-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid
CID 28788867
(2S)-4-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid
CID 28788869
(2R)-3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 28789250
(2S)-3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 28789252
(2S,3S)-3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid
CID 28790018
1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 43162945
2-Cyclopropyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid
CID 43162986
4-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid
CID 43210965
3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 43211028
3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid
CID 43211126
2-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid
CID 43619103
methyl 4-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoate
CID 43623219

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid (CID 43341230) is 2-cyclopropyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid is CC(NC(=O)c1c[nH]c(=O)cn1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid?
The InChIKey is IUGQHHTYAIBZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4/c1-11(10(17)18,6-2-3-6)14-9(16)7-4-13-8(15)5-12-7/h4-6H,2-3H2,1H3,(H,13,15)(H,14,16)(H,17,18).
What are the key properties of 2-cyclopropyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid?
2-cyclopropyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid has a molecular weight of 251.24 g/mol, XLogP of -0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 43341230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).