2-methyl-6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]heptanoic acid

C14H21N3O4 — CID 65285975

IUPAC2-methyl-6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]heptanoic acid
SMILESCC(CCCC(C)C(=O)O)NC(=O)Cn1cccnc1=O
InChIInChI=1S/C14H21N3O4/c1-10(13(19)20)5-3-6-11(2)16-12(18)9-17-8-4-7-15-14(17)21/h4,7-8,10-11H,3,5-6,9H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyXQZZISPGGXPHKX-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.64
Rot. Bonds8

About 2-methyl-6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]heptanoic acid

2-methyl-6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]heptanoic acid (PubChem CID 65285975) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-methyl-6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]heptanoic acid.

Molecular Properties

Compound Name2-methyl-6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]heptanoic acid
PubChem CID65285975
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name2-methyl-6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]heptanoic acid
SMILESCC(CCCC(C)C(=O)O)NC(=O)Cn1cccnc1=O
InChIInChI=1S/C14H21N3O4/c1-10(13(19)20)5-3-6-11(2)16-12(18)9-17-8-4-7-15-14(17)21/h4,7-8,10-11H,3,5-6,9H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyXQZZISPGGXPHKX-UHFFFAOYSA-N
XLogP0.64
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]heptanoic acid?
The IUPAC name of 2-methyl-6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]heptanoic acid (CID 65285975) is 2-methyl-6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]heptanoic acid.
What is the SMILES notation for 2-methyl-6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]heptanoic acid?
The canonical SMILES for 2-methyl-6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]heptanoic acid is CC(CCCC(C)C(=O)O)NC(=O)Cn1cccnc1=O.
What is the InChIKey of 2-methyl-6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]heptanoic acid?
The InChIKey is XQZZISPGGXPHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-10(13(19)20)5-3-6-11(2)16-12(18)9-17-8-4-7-15-14(17)21/h4,7-8,10-11H,3,5-6,9H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 2-methyl-6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]heptanoic acid?
2-methyl-6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]heptanoic acid has a molecular weight of 295.34 g/mol, XLogP of 0.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]heptanoic acid is sourced from PubChem (CID 65285975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).