3-[ethyl(pyrazin-2-yl)amino]propanoic acid

C9H13N3O2 — CID 61010461

IUPAC3-[ethyl(pyrazin-2-yl)amino]propanoic acid
SMILESCCN(CCC(=O)O)c1cnccn1
InChIInChI=1S/C9H13N3O2/c1-2-12(6-3-9(13)14)8-7-10-4-5-11-8/h4-5,7H,2-3,6H2,1H3,(H,13,14)
InChIKeyATEDUPRPFUPBHF-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.78
Rot. Bonds5

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

3-[ethyl(pyrazin-2-yl)amino]propanoic acid (PubChem CID 61010461) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-[ethyl(pyrazin-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl(pyrazin-2-yl)amino]propanoic acid
PubChem CID61010461
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name3-[ethyl(pyrazin-2-yl)amino]propanoic acid
SMILESCCN(CCC(=O)O)c1cnccn1
InChIInChI=1S/C9H13N3O2/c1-2-12(6-3-9(13)14)8-7-10-4-5-11-8/h4-5,7H,2-3,6H2,1H3,(H,13,14)
InChIKeyATEDUPRPFUPBHF-UHFFFAOYSA-N
XLogP0.78
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(pyrazin-2-yl)amino]propanoic acid?
The IUPAC name of 3-[ethyl(pyrazin-2-yl)amino]propanoic acid (CID 61010461) is 3-[ethyl(pyrazin-2-yl)amino]propanoic acid.
What is the SMILES notation for 3-[ethyl(pyrazin-2-yl)amino]propanoic acid?
The canonical SMILES for 3-[ethyl(pyrazin-2-yl)amino]propanoic acid is CCN(CCC(=O)O)c1cnccn1.
What is the InChIKey of 3-[ethyl(pyrazin-2-yl)amino]propanoic acid?
The InChIKey is ATEDUPRPFUPBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-2-12(6-3-9(13)14)8-7-10-4-5-11-8/h4-5,7H,2-3,6H2,1H3,(H,13,14).
What are the key properties of 3-[ethyl(pyrazin-2-yl)amino]propanoic acid?
3-[ethyl(pyrazin-2-yl)amino]propanoic acid has a molecular weight of 195.22 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(pyrazin-2-yl)amino]propanoic acid is sourced from PubChem (CID 61010461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).