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

C8H9N3O5 — CID 28790345

IUPAC(2S)-3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
SMILESO=C(N[C@@H](CO)C(=O)O)c1c[nH]c(=O)cn1
InChIInChI=1S/C8H9N3O5/c12-3-5(8(15)16)11-7(14)4-1-10-6(13)2-9-4/h1-2,5,12H,3H2,(H,10,13)(H,11,14)(H,15,16)/t5-/m0/s1
InChIKeyNZOPEYVYWPECMF-YFKPBYRVSA-N
MW227.18 g/mol
LogP-2.05
Rot. Bonds4

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

(2S)-3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid (PubChem CID 28790345) has the molecular formula C8H9N3O5 and a molecular weight of 227.18 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
PubChem CID28790345
Molecular FormulaC8H9N3O5
Molecular Weight227.18 g/mol
Exact Mass227.05
IUPAC Name(2S)-3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
SMILESO=C(N[C@@H](CO)C(=O)O)c1c[nH]c(=O)cn1
InChIInChI=1S/C8H9N3O5/c12-3-5(8(15)16)11-7(14)4-1-10-6(13)2-9-4/h1-2,5,12H,3H2,(H,10,13)(H,11,14)(H,15,16)/t5-/m0/s1
InChIKeyNZOPEYVYWPECMF-YFKPBYRVSA-N
XLogP-2.05
TPSA132.38 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 5-2.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R)-3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 28789024
(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
(2R)-3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
CID 28790343
3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 43210994
2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
CID 43211062
3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
CID 43211168
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-(1-hydroxypropan-2-yl)-6-oxo-1H-pyrazine-3-carboxamide
CID 43501040
methyl 3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoate
CID 43623544

Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid?
The IUPAC name of (2S)-3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid (CID 28790345) is (2S)-3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2S)-3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for (2S)-3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid is O=C(N[C@@H](CO)C(=O)O)c1c[nH]c(=O)cn1.
What is the InChIKey of (2S)-3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid?
The InChIKey is NZOPEYVYWPECMF-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H9N3O5/c12-3-5(8(15)16)11-7(14)4-1-10-6(13)2-9-4/h1-2,5,12H,3H2,(H,10,13)(H,11,14)(H,15,16)/t5-/m0/s1.
What are the key properties of (2S)-3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid?
(2S)-3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid has a molecular weight of 227.18 g/mol, XLogP of -2.05, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 28790345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).