methyl 3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoate

C9H11N3O5 — CID 43623544

IUPACmethyl 3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoate
SMILESCOC(=O)C(CO)NC(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C9H11N3O5/c1-17-9(16)6(4-13)12-8(15)5-2-11-7(14)3-10-5/h2-3,6,13H,4H2,1H3,(H,11,14)(H,12,15)
InChIKeyCXGUDEHBBVPIMZ-UHFFFAOYSA-N
MW241.20 g/mol
LogP-1.97
Rot. Bonds4

About methyl 3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoate

methyl 3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoate (PubChem CID 43623544) has the molecular formula C9H11N3O5 and a molecular weight of 241.20 g/mol. Its IUPAC name is methyl 3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoate
PubChem CID43623544
Molecular FormulaC9H11N3O5
Molecular Weight241.20 g/mol
Exact Mass241.07
IUPAC Namemethyl 3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoate
SMILESCOC(=O)C(CO)NC(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C9H11N3O5/c1-17-9(16)6(4-13)12-8(15)5-2-11-7(14)3-10-5/h2-3,6,13H,4H2,1H3,(H,11,14)(H,12,15)
InChIKeyCXGUDEHBBVPIMZ-UHFFFAOYSA-N
XLogP-1.97
TPSA121.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 5-1.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze methyl 3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoate with MolForge

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Related Compounds

methyl 2-[[(E)-3-amino-2-methanimidoylprop-2-enoyl]amino]-3-hydroxypropanoate
CID 170970328
(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
(2R)-3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
CID 28790343
(2S)-3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
CID 28790345
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
Methyl 3-hydroxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoate
CID 43407099
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

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoate (CID 43623544) is methyl 3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoate is COC(=O)C(CO)NC(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of methyl 3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoate?
The InChIKey is CXGUDEHBBVPIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O5/c1-17-9(16)6(4-13)12-8(15)5-2-11-7(14)3-10-5/h2-3,6,13H,4H2,1H3,(H,11,14)(H,12,15).
What are the key properties of methyl 3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoate?
methyl 3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoate has a molecular weight of 241.20 g/mol, XLogP of -1.97, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoate is sourced from PubChem (CID 43623544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).