3,3-dimethyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid

C11H15N3O4 — CID 43467797

IUPAC3,3-dimethyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
SMILESCC(C)(C)C(NC(=O)c1c[nH]c(=O)cn1)C(=O)O
InChIInChI=1S/C11H15N3O4/c1-11(2,3)8(10(17)18)14-9(16)6-4-13-7(15)5-12-6/h4-5,8H,1-3H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeyBCDURCBGPPDSRA-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.00
Rot. Bonds3

About 3,3-dimethyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid

3,3-dimethyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid (PubChem CID 43467797) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 3,3-dimethyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3,3-dimethyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
PubChem CID43467797
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name3,3-dimethyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
SMILESCC(C)(C)C(NC(=O)c1c[nH]c(=O)cn1)C(=O)O
InChIInChI=1S/C11H15N3O4/c1-11(2,3)8(10(17)18)14-9(16)6-4-13-7(15)5-12-6/h4-5,8H,1-3H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeyBCDURCBGPPDSRA-UHFFFAOYSA-N
XLogP-0.00
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
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 3,3-dimethyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic 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)-4-methylsulfanyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 28788935
(2S)-4-methylsulfanyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 28788937
(2S,3R)-3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 28789024
(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
(2R)-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
CID 28789556
(2S)-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
CID 28789558
2-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid
CID 28789977
(2S,3S)-3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid
CID 28790018
4-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid
CID 43210965

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid?
The IUPAC name of 3,3-dimethyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid (CID 43467797) is 3,3-dimethyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3,3-dimethyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 3,3-dimethyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid is CC(C)(C)C(NC(=O)c1c[nH]c(=O)cn1)C(=O)O.
What is the InChIKey of 3,3-dimethyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid?
The InChIKey is BCDURCBGPPDSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-11(2,3)8(10(17)18)14-9(16)6-4-13-7(15)5-12-6/h4-5,8H,1-3H3,(H,13,15)(H,14,16)(H,17,18).
What are the key properties of 3,3-dimethyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid?
3,3-dimethyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid has a molecular weight of 253.26 g/mol, XLogP of -0.00, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 43467797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).