2,2-diethyl-4-[methyl-(2-methyloxolan-3-yl)amino]-4-oxobutanoic acid

C14H25NO4 — CID 82731738

IUPAC2,2-diethyl-4-[methyl-(2-methyloxolan-3-yl)amino]-4-oxobutanoic acid
SMILESCCC(CC)(CC(=O)N(C)C1CCOC1C)C(=O)O
InChIInChI=1S/C14H25NO4/c1-5-14(6-2,13(17)18)9-12(16)15(4)11-7-8-19-10(11)3/h10-11H,5-9H2,1-4H3,(H,17,18)
InChIKeyGLYLXESIANSVRQ-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.90
Rot. Bonds6

About 2,2-diethyl-4-[methyl-(2-methyloxolan-3-yl)amino]-4-oxobutanoic acid

2,2-diethyl-4-[methyl-(2-methyloxolan-3-yl)amino]-4-oxobutanoic acid (PubChem CID 82731738) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2,2-diethyl-4-[methyl-(2-methyloxolan-3-yl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name2,2-diethyl-4-[methyl-(2-methyloxolan-3-yl)amino]-4-oxobutanoic acid
PubChem CID82731738
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name2,2-diethyl-4-[methyl-(2-methyloxolan-3-yl)amino]-4-oxobutanoic acid
SMILESCCC(CC)(CC(=O)N(C)C1CCOC1C)C(=O)O
InChIInChI=1S/C14H25NO4/c1-5-14(6-2,13(17)18)9-12(16)15(4)11-7-8-19-10(11)3/h10-11H,5-9H2,1-4H3,(H,17,18)
InChIKeyGLYLXESIANSVRQ-UHFFFAOYSA-N
XLogP1.90
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-4-[methyl-(2-methyloxolan-3-yl)amino]-4-oxobutanoic acid?
The IUPAC name of 2,2-diethyl-4-[methyl-(2-methyloxolan-3-yl)amino]-4-oxobutanoic acid (CID 82731738) is 2,2-diethyl-4-[methyl-(2-methyloxolan-3-yl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 2,2-diethyl-4-[methyl-(2-methyloxolan-3-yl)amino]-4-oxobutanoic acid?
The canonical SMILES for 2,2-diethyl-4-[methyl-(2-methyloxolan-3-yl)amino]-4-oxobutanoic acid is CCC(CC)(CC(=O)N(C)C1CCOC1C)C(=O)O.
What is the InChIKey of 2,2-diethyl-4-[methyl-(2-methyloxolan-3-yl)amino]-4-oxobutanoic acid?
The InChIKey is GLYLXESIANSVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-5-14(6-2,13(17)18)9-12(16)15(4)11-7-8-19-10(11)3/h10-11H,5-9H2,1-4H3,(H,17,18).
What are the key properties of 2,2-diethyl-4-[methyl-(2-methyloxolan-3-yl)amino]-4-oxobutanoic acid?
2,2-diethyl-4-[methyl-(2-methyloxolan-3-yl)amino]-4-oxobutanoic acid has a molecular weight of 271.36 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-4-[methyl-(2-methyloxolan-3-yl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 82731738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).