3-[(4-ethyl-3-oxopyrazin-2-yl)amino]-2-methylpropanoic acid

C10H15N3O3 — CID 62938389

IUPAC3-[(4-ethyl-3-oxopyrazin-2-yl)amino]-2-methylpropanoic acid
SMILESCCn1ccnc(NCC(C)C(=O)O)c1=O
InChIInChI=1S/C10H15N3O3/c1-3-13-5-4-11-8(9(13)14)12-6-7(2)10(15)16/h4-5,7H,3,6H2,1-2H3,(H,11,12)(H,15,16)
InChIKeyKZKYYIIUCKIGBV-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.40
Rot. Bonds5

About 3-[(4-ethyl-3-oxopyrazin-2-yl)amino]-2-methylpropanoic acid

3-[(4-ethyl-3-oxopyrazin-2-yl)amino]-2-methylpropanoic acid (PubChem CID 62938389) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-[(4-ethyl-3-oxopyrazin-2-yl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(4-ethyl-3-oxopyrazin-2-yl)amino]-2-methylpropanoic acid
PubChem CID62938389
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name3-[(4-ethyl-3-oxopyrazin-2-yl)amino]-2-methylpropanoic acid
SMILESCCn1ccnc(NCC(C)C(=O)O)c1=O
InChIInChI=1S/C10H15N3O3/c1-3-13-5-4-11-8(9(13)14)12-6-7(2)10(15)16/h4-5,7H,3,6H2,1-2H3,(H,11,12)(H,15,16)
InChIKeyKZKYYIIUCKIGBV-UHFFFAOYSA-N
XLogP0.40
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethyl-3-oxopyrazin-2-yl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[(4-ethyl-3-oxopyrazin-2-yl)amino]-2-methylpropanoic acid (CID 62938389) is 3-[(4-ethyl-3-oxopyrazin-2-yl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(4-ethyl-3-oxopyrazin-2-yl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(4-ethyl-3-oxopyrazin-2-yl)amino]-2-methylpropanoic acid is CCn1ccnc(NCC(C)C(=O)O)c1=O.
What is the InChIKey of 3-[(4-ethyl-3-oxopyrazin-2-yl)amino]-2-methylpropanoic acid?
The InChIKey is KZKYYIIUCKIGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-3-13-5-4-11-8(9(13)14)12-6-7(2)10(15)16/h4-5,7H,3,6H2,1-2H3,(H,11,12)(H,15,16).
What are the key properties of 3-[(4-ethyl-3-oxopyrazin-2-yl)amino]-2-methylpropanoic acid?
3-[(4-ethyl-3-oxopyrazin-2-yl)amino]-2-methylpropanoic acid has a molecular weight of 225.25 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethyl-3-oxopyrazin-2-yl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 62938389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).