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

C10H13N3O4 — CID 43631077

IUPAC2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid
SMILESCCCC(NC(=O)c1c[nH]c(=O)cn1)C(=O)O
InChIInChI=1S/C10H13N3O4/c1-2-3-6(10(16)17)13-9(15)7-4-12-8(14)5-11-7/h4-6H,2-3H2,1H3,(H,12,14)(H,13,15)(H,16,17)
InChIKeyALTBRJJXNRFVHS-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.25
Rot. Bonds5

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

2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid (PubChem CID 43631077) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid
PubChem CID43631077
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid
SMILESCCCC(NC(=O)c1c[nH]c(=O)cn1)C(=O)O
InChIInChI=1S/C10H13N3O4/c1-2-3-6(10(16)17)13-9(15)7-4-12-8(14)5-11-7/h4-6H,2-3H2,1H3,(H,12,14)(H,13,15)(H,16,17)
InChIKeyALTBRJJXNRFVHS-UHFFFAOYSA-N
XLogP-0.25
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(6-oxo-1H-pyrazine-3-carbonyl)amino]hexanoic acid
CID 28788663
(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
4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 28789499
(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
(2S)-1-(6-oxo-1H-pyrazine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 28789632

Frequently Asked Questions

What is the IUPAC name of 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid?
The IUPAC name of 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid (CID 43631077) is 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid is CCCC(NC(=O)c1c[nH]c(=O)cn1)C(=O)O.
What is the InChIKey of 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid?
The InChIKey is ALTBRJJXNRFVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-2-3-6(10(16)17)13-9(15)7-4-12-8(14)5-11-7/h4-6H,2-3H2,1H3,(H,12,14)(H,13,15)(H,16,17).
What are the key properties of 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid?
2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid has a molecular weight of 239.23 g/mol, XLogP of -0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 43631077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).