3-methyl-3-[3-(5-methyloxolan-2-yl)propanoylamino]pentanoic acid

C14H25NO4 — CID 119215818

IUPAC3-methyl-3-[3-(5-methyloxolan-2-yl)propanoylamino]pentanoic acid
SMILESCCC(C)(CC(=O)O)NC(=O)CCC1CCC(C)O1
InChIInChI=1S/C14H25NO4/c1-4-14(3,9-13(17)18)15-12(16)8-7-11-6-5-10(2)19-11/h10-11H,4-9H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyRCQJXEWDCGABPD-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.09
Rot. Bonds7

About 3-methyl-3-[3-(5-methyloxolan-2-yl)propanoylamino]pentanoic acid

3-methyl-3-[3-(5-methyloxolan-2-yl)propanoylamino]pentanoic acid (PubChem CID 119215818) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-methyl-3-[3-(5-methyloxolan-2-yl)propanoylamino]pentanoic acid.

Molecular Properties

Compound Name3-methyl-3-[3-(5-methyloxolan-2-yl)propanoylamino]pentanoic acid
PubChem CID119215818
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name3-methyl-3-[3-(5-methyloxolan-2-yl)propanoylamino]pentanoic acid
SMILESCCC(C)(CC(=O)O)NC(=O)CCC1CCC(C)O1
InChIInChI=1S/C14H25NO4/c1-4-14(3,9-13(17)18)15-12(16)8-7-11-6-5-10(2)19-11/h10-11H,4-9H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyRCQJXEWDCGABPD-UHFFFAOYSA-N
XLogP2.09
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-methyl-3-[3-(5-methyloxolan-2-yl)propanoylamino]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[3-(5-methyloxolan-2-yl)propanoylamino]pentanoic acid?
The IUPAC name of 3-methyl-3-[3-(5-methyloxolan-2-yl)propanoylamino]pentanoic acid (CID 119215818) is 3-methyl-3-[3-(5-methyloxolan-2-yl)propanoylamino]pentanoic acid.
What is the SMILES notation for 3-methyl-3-[3-(5-methyloxolan-2-yl)propanoylamino]pentanoic acid?
The canonical SMILES for 3-methyl-3-[3-(5-methyloxolan-2-yl)propanoylamino]pentanoic acid is CCC(C)(CC(=O)O)NC(=O)CCC1CCC(C)O1.
What is the InChIKey of 3-methyl-3-[3-(5-methyloxolan-2-yl)propanoylamino]pentanoic acid?
The InChIKey is RCQJXEWDCGABPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-4-14(3,9-13(17)18)15-12(16)8-7-11-6-5-10(2)19-11/h10-11H,4-9H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 3-methyl-3-[3-(5-methyloxolan-2-yl)propanoylamino]pentanoic acid?
3-methyl-3-[3-(5-methyloxolan-2-yl)propanoylamino]pentanoic acid has a molecular weight of 271.36 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[3-(5-methyloxolan-2-yl)propanoylamino]pentanoic acid is sourced from PubChem (CID 119215818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).