2-[(4-methyl-3-oxopyrazin-2-yl)-propylamino]acetic acid

C10H15N3O3 — CID 55124880

IUPAC2-[(4-methyl-3-oxopyrazin-2-yl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)c1nccn(C)c1=O
InChIInChI=1S/C10H15N3O3/c1-3-5-13(7-8(14)15)9-10(16)12(2)6-4-11-9/h4,6H,3,5,7H2,1-2H3,(H,14,15)
InChIKeyNKFDXKWWOZJOPX-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.08
Rot. Bonds5

About 2-[(4-methyl-3-oxopyrazin-2-yl)-propylamino]acetic acid

2-[(4-methyl-3-oxopyrazin-2-yl)-propylamino]acetic acid (PubChem CID 55124880) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-[(4-methyl-3-oxopyrazin-2-yl)-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-methyl-3-oxopyrazin-2-yl)-propylamino]acetic acid
PubChem CID55124880
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-[(4-methyl-3-oxopyrazin-2-yl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)c1nccn(C)c1=O
InChIInChI=1S/C10H15N3O3/c1-3-5-13(7-8(14)15)9-10(16)12(2)6-4-11-9/h4,6H,3,5,7H2,1-2H3,(H,14,15)
InChIKeyNKFDXKWWOZJOPX-UHFFFAOYSA-N
XLogP0.08
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-3-oxopyrazin-2-yl)-propylamino]acetic acid?
The IUPAC name of 2-[(4-methyl-3-oxopyrazin-2-yl)-propylamino]acetic acid (CID 55124880) is 2-[(4-methyl-3-oxopyrazin-2-yl)-propylamino]acetic acid.
What is the SMILES notation for 2-[(4-methyl-3-oxopyrazin-2-yl)-propylamino]acetic acid?
The canonical SMILES for 2-[(4-methyl-3-oxopyrazin-2-yl)-propylamino]acetic acid is CCCN(CC(=O)O)c1nccn(C)c1=O.
What is the InChIKey of 2-[(4-methyl-3-oxopyrazin-2-yl)-propylamino]acetic acid?
The InChIKey is NKFDXKWWOZJOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-3-5-13(7-8(14)15)9-10(16)12(2)6-4-11-9/h4,6H,3,5,7H2,1-2H3,(H,14,15).
What are the key properties of 2-[(4-methyl-3-oxopyrazin-2-yl)-propylamino]acetic acid?
2-[(4-methyl-3-oxopyrazin-2-yl)-propylamino]acetic acid has a molecular weight of 225.25 g/mol, XLogP of 0.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-3-oxopyrazin-2-yl)-propylamino]acetic acid is sourced from PubChem (CID 55124880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).