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

C8H9N3O4 — CID 28789558

IUPAC(2S)-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
SMILESC[C@H](NC(=O)c1c[nH]c(=O)cn1)C(=O)O
InChIInChI=1S/C8H9N3O4/c1-4(8(14)15)11-7(13)5-2-10-6(12)3-9-5/h2-4H,1H3,(H,10,12)(H,11,13)(H,14,15)/t4-/m0/s1
InChIKeyMBYKXDZNLPKLKT-BYPYZUCNSA-N
MW211.18 g/mol
LogP-1.03
Rot. Bonds3

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

(2S)-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid (PubChem CID 28789558) has the molecular formula C8H9N3O4 and a molecular weight of 211.18 g/mol. Its IUPAC name is (2S)-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
PubChem CID28789558
Molecular FormulaC8H9N3O4
Molecular Weight211.18 g/mol
Exact Mass211.06
IUPAC Name(2S)-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
SMILESC[C@H](NC(=O)c1c[nH]c(=O)cn1)C(=O)O
InChIInChI=1S/C8H9N3O4/c1-4(8(14)15)11-7(13)5-2-10-6(12)3-9-5/h2-4H,1H3,(H,10,12)(H,11,13)(H,14,15)/t4-/m0/s1
InChIKeyMBYKXDZNLPKLKT-BYPYZUCNSA-N
XLogP-1.03
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
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

2-[(6-oxo-1H-pyrazine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258463
3,3,3-trifluoro-2-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
CID 79795987
6-oxo-N-propan-2-yl-1H-pyrazine-2-carboxamide
CID 172999875
1-[2-oxo-2-(propan-2-ylamino)ethyl]-2H-pyrazine-5-carboxylic acid
CID 173249540
(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
2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid
CID 28789420

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid?
The IUPAC name of (2S)-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid (CID 28789558) is (2S)-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid is C[C@H](NC(=O)c1c[nH]c(=O)cn1)C(=O)O.
What is the InChIKey of (2S)-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid?
The InChIKey is MBYKXDZNLPKLKT-BYPYZUCNSA-N. The full InChI is InChI=1S/C8H9N3O4/c1-4(8(14)15)11-7(13)5-2-10-6(12)3-9-5/h2-4H,1H3,(H,10,12)(H,11,13)(H,14,15)/t4-/m0/s1.
What are the key properties of (2S)-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid?
(2S)-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid has a molecular weight of 211.18 g/mol, XLogP of -1.03, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 28789558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).