3-[(4-methyl-3-oxopyrazin-2-yl)amino]-2-phenylpropanoic acid

C14H15N3O3 — CID 62940771

IUPAC3-[(4-methyl-3-oxopyrazin-2-yl)amino]-2-phenylpropanoic acid
SMILESCn1ccnc(NCC(C(=O)O)c2ccccc2)c1=O
InChIInChI=1S/C14H15N3O3/c1-17-8-7-15-12(13(17)18)16-9-11(14(19)20)10-5-3-2-4-6-10/h2-8,11H,9H2,1H3,(H,15,16)(H,19,20)
InChIKeyGXDZSEOJRCOPTB-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.06
Rot. Bonds5

About 3-[(4-methyl-3-oxopyrazin-2-yl)amino]-2-phenylpropanoic acid

3-[(4-methyl-3-oxopyrazin-2-yl)amino]-2-phenylpropanoic acid (PubChem CID 62940771) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 3-[(4-methyl-3-oxopyrazin-2-yl)amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[(4-methyl-3-oxopyrazin-2-yl)amino]-2-phenylpropanoic acid
PubChem CID62940771
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name3-[(4-methyl-3-oxopyrazin-2-yl)amino]-2-phenylpropanoic acid
SMILESCn1ccnc(NCC(C(=O)O)c2ccccc2)c1=O
InChIInChI=1S/C14H15N3O3/c1-17-8-7-15-12(13(17)18)16-9-11(14(19)20)10-5-3-2-4-6-10/h2-8,11H,9H2,1H3,(H,15,16)(H,19,20)
InChIKeyGXDZSEOJRCOPTB-UHFFFAOYSA-N
XLogP1.06
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-chloro-2-phenylethyl)amino]-1-methylpyrazin-2-one
CID 65027751
3-(1-methylimidazol-2-yl)-2-phenylpropanoic acid
CID 81008633
3-[(2-hydroxy-2-phenylethyl)amino]-1-propylpyrazin-2-one
CID 62940894
methyl 2-[(4-methyl-3-oxopyrazin-2-yl)amino]-2-phenylacetate
CID 62939898
1-methyl-3-(2-phenylsulfanylethylamino)pyrazin-2-one
CID 55130602
1-methyl-3-(2-methylbutylamino)pyrazin-2-one
CID 62938700
3-[(3-amino-2-methylpropyl)amino]-1-methylpyrazin-2-one
CID 65034860
3-[(3-nitro-2-pyridinyl)amino]-2-phenylpropanoic acid
CID 13214598
3-[[(2R)-2-(2-bromophenoxy)propyl]amino]-1-methylpyrazin-2-one
CID 97221043
1-methyl-3-[(2-methylphenyl)methylamino]pyrazin-2-one
CID 62938866
3-[(3-methoxy-2-methylpropyl)amino]-1-methylpyrazin-2-one
CID 62939228
3-[(4-methylpyrimidin-2-yl)amino]-2-phenylpropanoic acid
CID 62960699

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-3-oxopyrazin-2-yl)amino]-2-phenylpropanoic acid?
The IUPAC name of 3-[(4-methyl-3-oxopyrazin-2-yl)amino]-2-phenylpropanoic acid (CID 62940771) is 3-[(4-methyl-3-oxopyrazin-2-yl)amino]-2-phenylpropanoic acid.
What is the SMILES notation for 3-[(4-methyl-3-oxopyrazin-2-yl)amino]-2-phenylpropanoic acid?
The canonical SMILES for 3-[(4-methyl-3-oxopyrazin-2-yl)amino]-2-phenylpropanoic acid is Cn1ccnc(NCC(C(=O)O)c2ccccc2)c1=O.
What is the InChIKey of 3-[(4-methyl-3-oxopyrazin-2-yl)amino]-2-phenylpropanoic acid?
The InChIKey is GXDZSEOJRCOPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-17-8-7-15-12(13(17)18)16-9-11(14(19)20)10-5-3-2-4-6-10/h2-8,11H,9H2,1H3,(H,15,16)(H,19,20).
What are the key properties of 3-[(4-methyl-3-oxopyrazin-2-yl)amino]-2-phenylpropanoic acid?
3-[(4-methyl-3-oxopyrazin-2-yl)amino]-2-phenylpropanoic acid has a molecular weight of 273.29 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-3-oxopyrazin-2-yl)amino]-2-phenylpropanoic acid is sourced from PubChem (CID 62940771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).