5-methyl-3-[[(2,4,5-trimethyloxolane-3-carbonyl)amino]methyl]hexanoic acid

C16H29NO4 — CID 65492697

IUPAC5-methyl-3-[[(2,4,5-trimethyloxolane-3-carbonyl)amino]methyl]hexanoic acid
SMILESCC(C)CC(CNC(=O)C1C(C)OC(C)C1C)CC(=O)O
InChIInChI=1S/C16H29NO4/c1-9(2)6-13(7-14(18)19)8-17-16(20)15-10(3)11(4)21-12(15)5/h9-13,15H,6-8H2,1-5H3,(H,17,20)(H,18,19)
InChIKeyTZZZTWLXXWIRFB-UHFFFAOYSA-N
MW299.41 g/mol
LogP2.30
Rot. Bonds7

About 5-methyl-3-[[(2,4,5-trimethyloxolane-3-carbonyl)amino]methyl]hexanoic acid

5-methyl-3-[[(2,4,5-trimethyloxolane-3-carbonyl)amino]methyl]hexanoic acid (PubChem CID 65492697) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is 5-methyl-3-[[(2,4,5-trimethyloxolane-3-carbonyl)amino]methyl]hexanoic acid.

Molecular Properties

Compound Name5-methyl-3-[[(2,4,5-trimethyloxolane-3-carbonyl)amino]methyl]hexanoic acid
PubChem CID65492697
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC Name5-methyl-3-[[(2,4,5-trimethyloxolane-3-carbonyl)amino]methyl]hexanoic acid
SMILESCC(C)CC(CNC(=O)C1C(C)OC(C)C1C)CC(=O)O
InChIInChI=1S/C16H29NO4/c1-9(2)6-13(7-14(18)19)8-17-16(20)15-10(3)11(4)21-12(15)5/h9-13,15H,6-8H2,1-5H3,(H,17,20)(H,18,19)
InChIKeyTZZZTWLXXWIRFB-UHFFFAOYSA-N
XLogP2.30
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[(2,4,5-trimethyloxolane-3-carbonyl)amino]methyl]hexanoic acid?
The IUPAC name of 5-methyl-3-[[(2,4,5-trimethyloxolane-3-carbonyl)amino]methyl]hexanoic acid (CID 65492697) is 5-methyl-3-[[(2,4,5-trimethyloxolane-3-carbonyl)amino]methyl]hexanoic acid.
What is the SMILES notation for 5-methyl-3-[[(2,4,5-trimethyloxolane-3-carbonyl)amino]methyl]hexanoic acid?
The canonical SMILES for 5-methyl-3-[[(2,4,5-trimethyloxolane-3-carbonyl)amino]methyl]hexanoic acid is CC(C)CC(CNC(=O)C1C(C)OC(C)C1C)CC(=O)O.
What is the InChIKey of 5-methyl-3-[[(2,4,5-trimethyloxolane-3-carbonyl)amino]methyl]hexanoic acid?
The InChIKey is TZZZTWLXXWIRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO4/c1-9(2)6-13(7-14(18)19)8-17-16(20)15-10(3)11(4)21-12(15)5/h9-13,15H,6-8H2,1-5H3,(H,17,20)(H,18,19).
What are the key properties of 5-methyl-3-[[(2,4,5-trimethyloxolane-3-carbonyl)amino]methyl]hexanoic acid?
5-methyl-3-[[(2,4,5-trimethyloxolane-3-carbonyl)amino]methyl]hexanoic acid has a molecular weight of 299.41 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[(2,4,5-trimethyloxolane-3-carbonyl)amino]methyl]hexanoic acid is sourced from PubChem (CID 65492697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).