2-[(3-methoxycarbonylpyrazin-2-yl)amino]propanoic acid

C9H11N3O4 — CID 54121972

IUPAC2-[(3-methoxycarbonylpyrazin-2-yl)amino]propanoic acid
SMILESCOC(=O)c1nccnc1NC(C)C(=O)O
InChIInChI=1S/C9H11N3O4/c1-5(8(13)14)12-7-6(9(15)16-2)10-3-4-11-7/h3-5H,1-2H3,(H,11,12)(H,13,14)
InChIKeyNOIPKVGUHFPHOZ-UHFFFAOYSA-N
MW225.20 g/mol
LogP0.15
Rot. Bonds4

About 2-[(3-methoxycarbonylpyrazin-2-yl)amino]propanoic acid

2-[(3-methoxycarbonylpyrazin-2-yl)amino]propanoic acid (PubChem CID 54121972) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is 2-[(3-methoxycarbonylpyrazin-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(3-methoxycarbonylpyrazin-2-yl)amino]propanoic acid
PubChem CID54121972
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name2-[(3-methoxycarbonylpyrazin-2-yl)amino]propanoic acid
SMILESCOC(=O)c1nccnc1NC(C)C(=O)O
InChIInChI=1S/C9H11N3O4/c1-5(8(13)14)12-7-6(9(15)16-2)10-3-4-11-7/h3-5H,1-2H3,(H,11,12)(H,13,14)
InChIKeyNOIPKVGUHFPHOZ-UHFFFAOYSA-N
XLogP0.15
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxycarbonylpyrazin-2-yl)amino]propanoic acid?
The IUPAC name of 2-[(3-methoxycarbonylpyrazin-2-yl)amino]propanoic acid (CID 54121972) is 2-[(3-methoxycarbonylpyrazin-2-yl)amino]propanoic acid.
What is the SMILES notation for 2-[(3-methoxycarbonylpyrazin-2-yl)amino]propanoic acid?
The canonical SMILES for 2-[(3-methoxycarbonylpyrazin-2-yl)amino]propanoic acid is COC(=O)c1nccnc1NC(C)C(=O)O.
What is the InChIKey of 2-[(3-methoxycarbonylpyrazin-2-yl)amino]propanoic acid?
The InChIKey is NOIPKVGUHFPHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4/c1-5(8(13)14)12-7-6(9(15)16-2)10-3-4-11-7/h3-5H,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 2-[(3-methoxycarbonylpyrazin-2-yl)amino]propanoic acid?
2-[(3-methoxycarbonylpyrazin-2-yl)amino]propanoic acid has a molecular weight of 225.20 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxycarbonylpyrazin-2-yl)amino]propanoic acid is sourced from PubChem (CID 54121972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).