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

C10H15N3O4 — CID 81078505

IUPAC2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-3-methoxypropanoic acid
SMILESCCn1ccnc(NC(COC)C(=O)O)c1=O
InChIInChI=1S/C10H15N3O4/c1-3-13-5-4-11-8(9(13)14)12-7(6-17-2)10(15)16/h4-5,7H,3,6H2,1-2H3,(H,11,12)(H,15,16)
InChIKeyMFUHIDDTDQDUBA-UHFFFAOYSA-N
MW241.25 g/mol
LogP-0.23
Rot. Bonds6

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

2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-3-methoxypropanoic acid (PubChem CID 81078505) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-3-methoxypropanoic acid
PubChem CID81078505
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-3-methoxypropanoic acid
SMILESCCn1ccnc(NC(COC)C(=O)O)c1=O
InChIInChI=1S/C10H15N3O4/c1-3-13-5-4-11-8(9(13)14)12-7(6-17-2)10(15)16/h4-5,7H,3,6H2,1-2H3,(H,11,12)(H,15,16)
InChIKeyMFUHIDDTDQDUBA-UHFFFAOYSA-N
XLogP-0.23
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-3-methoxypropanoic acid with MolForge

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Related Compounds

1-ethyl-3-[(1-hydroxy-4-methoxybutan-2-yl)amino]pyrazin-2-one
CID 114210811
2-[(1-ethylimidazol-2-yl)amino]-4-methoxybutanoic acid
CID 62478814
2-[(4-ethyl-3-oxopyrazin-2-yl)amino]propanamide
CID 62939329
3-methoxy-2-[(1-methylimidazol-2-yl)amino]propanoic acid
CID 81078507
3-methoxy-2-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)propanoic acid
CID 81077970
3-methoxy-2-[(2-oxo-1H-pyrazin-3-yl)amino]propanoic acid
CID 114570562
2-cyclohexyl-2-[(4-ethyl-3-oxopyrazin-2-yl)amino]acetic acid
CID 62940470
3-[(1-amino-3-methoxypropan-2-yl)amino]-1-propylpyrazin-2-one
CID 114154979
2-[[(4-ethyl-3-oxopyrazin-2-yl)amino]methyl]-3-methylbutanoic acid
CID 65226468
2-[(4-ethyl-3-oxopyrazin-2-yl)amino]acetamide
CID 62938604
N-ethyl-2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-N-methylpropanamide
CID 103111577
3-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 114155564

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-3-methoxypropanoic acid?
The IUPAC name of 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-3-methoxypropanoic acid (CID 81078505) is 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-3-methoxypropanoic acid.
What is the SMILES notation for 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-3-methoxypropanoic acid?
The canonical SMILES for 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-3-methoxypropanoic acid is CCn1ccnc(NC(COC)C(=O)O)c1=O.
What is the InChIKey of 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-3-methoxypropanoic acid?
The InChIKey is MFUHIDDTDQDUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-3-13-5-4-11-8(9(13)14)12-7(6-17-2)10(15)16/h4-5,7H,3,6H2,1-2H3,(H,11,12)(H,15,16).
What are the key properties of 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-3-methoxypropanoic acid?
2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-3-methoxypropanoic acid has a molecular weight of 241.25 g/mol, XLogP of -0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-3-methoxypropanoic acid is sourced from PubChem (CID 81078505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).