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

C8H9N3O4 — CID 28789464

IUPAC3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C8H9N3O4/c12-6-4-10-5(3-11-6)8(15)9-2-1-7(13)14/h3-4H,1-2H2,(H,9,15)(H,11,12)(H,13,14)
InChIKeyBRABEJIBMGMPSH-UHFFFAOYSA-N
MW211.18 g/mol
LogP-1.03
Rot. Bonds4

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

3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid (PubChem CID 28789464) has the molecular formula C8H9N3O4 and a molecular weight of 211.18 g/mol. Its IUPAC name is 3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
PubChem CID28789464
Molecular FormulaC8H9N3O4
Molecular Weight211.18 g/mol
Exact Mass211.06
IUPAC Name3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C8H9N3O4/c12-6-4-10-5(3-11-6)8(15)9-2-1-7(13)14/h3-4H,1-2H2,(H,9,15)(H,11,12)(H,13,14)
InChIKeyBRABEJIBMGMPSH-UHFFFAOYSA-N
XLogP-1.03
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(Ethenylamino)prop-2-enoylamino]propanoic acid
CID 161955294
2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid
CID 28789420
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
2-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid
CID 28789977
4-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 43151790
2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
CID 43211062
3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 43361018
2-[[2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetyl]amino]acetic acid
CID 43465507
2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 43469552
N-(3-hydroxypropyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 43500339

Frequently Asked Questions

What is the IUPAC name of 3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid (CID 28789464) is 3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid is O=C(O)CCNC(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of 3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid?
The InChIKey is BRABEJIBMGMPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O4/c12-6-4-10-5(3-11-6)8(15)9-2-1-7(13)14/h3-4H,1-2H2,(H,9,15)(H,11,12)(H,13,14).
What are the key properties of 3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid?
3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid has a molecular weight of 211.18 g/mol, XLogP of -1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 28789464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).