2-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]-4-methylpentanoic acid

C13H19N3O3 — CID 55157743

IUPAC2-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]-4-methylpentanoic acid
SMILESCC(C)CC(Nc1nccn(C2CC2)c1=O)C(=O)O
InChIInChI=1S/C13H19N3O3/c1-8(2)7-10(13(18)19)15-11-12(17)16(6-5-14-11)9-3-4-9/h5-6,8-10H,3-4,7H2,1-2H3,(H,14,15)(H,18,19)
InChIKeyKAPZQMDYTKQIEE-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.49
Rot. Bonds6

About 2-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]-4-methylpentanoic acid

2-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]-4-methylpentanoic acid (PubChem CID 55157743) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]-4-methylpentanoic acid
PubChem CID55157743
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]-4-methylpentanoic acid
SMILESCC(C)CC(Nc1nccn(C2CC2)c1=O)C(=O)O
InChIInChI=1S/C13H19N3O3/c1-8(2)7-10(13(18)19)15-11-12(17)16(6-5-14-11)9-3-4-9/h5-6,8-10H,3-4,7H2,1-2H3,(H,14,15)(H,18,19)
InChIKeyKAPZQMDYTKQIEE-UHFFFAOYSA-N
XLogP1.49
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]-4-methylpentanoic acid with MolForge

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Related Compounds

2-[3-[3-[[1-Cyclopropyl-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propylamino]-2-oxopyrazin-1-yl]acetic acid
CID 69589991
(2S)-4-methyl-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrazin-1-yl]pentanoic acid
CID 163226814
2-(3-Amino-2-oxopyrazin-1-yl)-4-methylpentanoic acid
CID 163226854
4-Methyl-4-[(3-oxo-4-propylpyrazin-2-yl)amino]pentanoic acid
CID 55154867
2-Cyclopropyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetic acid
CID 55155062
2-Cyclopropyl-2-[(3-oxo-4-propylpyrazin-2-yl)amino]acetic acid
CID 55155252
6-[(3-Oxo-4-propan-2-ylpyrazin-2-yl)amino]hexanoic acid
CID 55156016
3-[(1-Hydroxy-4-methylpentan-2-yl)amino]-1-propan-2-ylpyrazin-2-one
CID 55156032
3-[[4-(2-Methylpropyl)-3-oxopyrazin-2-yl]amino]butanoic acid
CID 55156209
3-[(1-Hydroxy-4-methylpentan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 55156223
2-[(3-Oxo-4-propylpyrazin-2-yl)amino]butanoic acid
CID 55156400
2-[(4-Ethyl-3-oxopyrazin-2-yl)amino]hexanoic acid
CID 55156401

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]-4-methylpentanoic acid?
The IUPAC name of 2-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]-4-methylpentanoic acid (CID 55157743) is 2-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]-4-methylpentanoic acid is CC(C)CC(Nc1nccn(C2CC2)c1=O)C(=O)O.
What is the InChIKey of 2-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]-4-methylpentanoic acid?
The InChIKey is KAPZQMDYTKQIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8(2)7-10(13(18)19)15-11-12(17)16(6-5-14-11)9-3-4-9/h5-6,8-10H,3-4,7H2,1-2H3,(H,14,15)(H,18,19).
What are the key properties of 2-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]-4-methylpentanoic acid?
2-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]-4-methylpentanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 55157743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).