4,4-dimethyl-6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid

C14H21N3O4 — CID 65284462

IUPAC4,4-dimethyl-6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid
SMILESCC(C)(CCNC(=O)Cn1cccnc1=O)CCC(=O)O
InChIInChI=1S/C14H21N3O4/c1-14(2,5-4-12(19)20)6-8-15-11(18)10-17-9-3-7-16-13(17)21/h3,7,9H,4-6,8,10H2,1-2H3,(H,15,18)(H,19,20)
InChIKeyMKORCVRMXFXWCW-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.64
Rot. Bonds8

About 4,4-dimethyl-6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid

4,4-dimethyl-6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid (PubChem CID 65284462) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 4,4-dimethyl-6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid.

Molecular Properties

Compound Name4,4-dimethyl-6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid
PubChem CID65284462
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name4,4-dimethyl-6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid
SMILESCC(C)(CCNC(=O)Cn1cccnc1=O)CCC(=O)O
InChIInChI=1S/C14H21N3O4/c1-14(2,5-4-12(19)20)6-8-15-11(18)10-17-9-3-7-16-13(17)21/h3,7,9H,4-6,8,10H2,1-2H3,(H,15,18)(H,19,20)
InChIKeyMKORCVRMXFXWCW-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 4,4-dimethyl-6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid?
The IUPAC name of 4,4-dimethyl-6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid (CID 65284462) is 4,4-dimethyl-6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid.
What is the SMILES notation for 4,4-dimethyl-6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid?
The canonical SMILES for 4,4-dimethyl-6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid is CC(C)(CCNC(=O)Cn1cccnc1=O)CCC(=O)O.
What is the InChIKey of 4,4-dimethyl-6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid?
The InChIKey is MKORCVRMXFXWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-14(2,5-4-12(19)20)6-8-15-11(18)10-17-9-3-7-16-13(17)21/h3,7,9H,4-6,8,10H2,1-2H3,(H,15,18)(H,19,20).
What are the key properties of 4,4-dimethyl-6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid?
4,4-dimethyl-6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic 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 4,4-dimethyl-6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid is sourced from PubChem (CID 65284462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).