3-[(6-methoxycarbonylpyrazin-2-yl)amino]propanoic acid

C9H11N3O4 — CID 66454375

IUPAC3-[(6-methoxycarbonylpyrazin-2-yl)amino]propanoic acid
SMILESCOC(=O)c1cncc(NCCC(=O)O)n1
InChIInChI=1S/C9H11N3O4/c1-16-9(15)6-4-10-5-7(12-6)11-3-2-8(13)14/h4-5H,2-3H2,1H3,(H,11,12)(H,13,14)
InChIKeyBNIGGEYGPJMWOS-UHFFFAOYSA-N
MW225.20 g/mol
LogP0.15
Rot. Bonds5

About 3-[(6-methoxycarbonylpyrazin-2-yl)amino]propanoic acid

3-[(6-methoxycarbonylpyrazin-2-yl)amino]propanoic acid (PubChem CID 66454375) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is 3-[(6-methoxycarbonylpyrazin-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(6-methoxycarbonylpyrazin-2-yl)amino]propanoic acid
PubChem CID66454375
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name3-[(6-methoxycarbonylpyrazin-2-yl)amino]propanoic acid
SMILESCOC(=O)c1cncc(NCCC(=O)O)n1
InChIInChI=1S/C9H11N3O4/c1-16-9(15)6-4-10-5-7(12-6)11-3-2-8(13)14/h4-5H,2-3H2,1H3,(H,11,12)(H,13,14)
InChIKeyBNIGGEYGPJMWOS-UHFFFAOYSA-N
XLogP0.15
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
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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Related Compounds

5-[(6-methoxycarbonylpyrazin-2-yl)amino]-4-methylpentanoic acid
CID 82017322
methyl 6-[2-(methylsulfamoyl)ethylamino]pyrazine-2-carboxylate
CID 114175311
methyl 6-(2-cyclopentylethylamino)pyrazine-2-carboxylate
CID 66456697
methyl 6-[2-(4-chlorophenyl)ethylamino]pyrazine-2-carboxylate
CID 66458088
methyl 6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrazine-2-carboxylate
CID 66458107
methyl 6-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylate
CID 115455097
methyl 6-(2-pyridin-3-ylethylamino)pyrazine-2-carboxylate
CID 66456102
methyl 6-(3-pyrazol-1-ylpropylamino)pyrazine-2-carboxylate
CID 113247403
methyl 6-[2-(2-methylphenyl)ethylamino]pyrazine-2-carboxylate
CID 79749113
methyl 6-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyrazine-2-carboxylate
CID 66457291
methyl 6-[(2-methyl-2-phenylpropyl)amino]pyrazine-2-carboxylate
CID 66455911
methyl 6-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carboxylate
CID 66457279

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methoxycarbonylpyrazin-2-yl)amino]propanoic acid?
The IUPAC name of 3-[(6-methoxycarbonylpyrazin-2-yl)amino]propanoic acid (CID 66454375) is 3-[(6-methoxycarbonylpyrazin-2-yl)amino]propanoic acid.
What is the SMILES notation for 3-[(6-methoxycarbonylpyrazin-2-yl)amino]propanoic acid?
The canonical SMILES for 3-[(6-methoxycarbonylpyrazin-2-yl)amino]propanoic acid is COC(=O)c1cncc(NCCC(=O)O)n1.
What is the InChIKey of 3-[(6-methoxycarbonylpyrazin-2-yl)amino]propanoic acid?
The InChIKey is BNIGGEYGPJMWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4/c1-16-9(15)6-4-10-5-7(12-6)11-3-2-8(13)14/h4-5H,2-3H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 3-[(6-methoxycarbonylpyrazin-2-yl)amino]propanoic acid?
3-[(6-methoxycarbonylpyrazin-2-yl)amino]propanoic acid has a molecular weight of 225.20 g/mol, XLogP of 0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methoxycarbonylpyrazin-2-yl)amino]propanoic acid is sourced from PubChem (CID 66454375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).