3-[ethyl-(2-methyloxolan-3-yl)amino]-2-methylpropanoic acid

C11H21NO3 — CID 82718981

IUPAC3-[ethyl-(2-methyloxolan-3-yl)amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C1CCOC1C
InChIInChI=1S/C11H21NO3/c1-4-12(7-8(2)11(13)14)10-5-6-15-9(10)3/h8-10H,4-7H2,1-3H3,(H,13,14)
InChIKeyVXDQGGBCWQTXMF-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.21
Rot. Bonds5

About 3-[ethyl-(2-methyloxolan-3-yl)amino]-2-methylpropanoic acid

3-[ethyl-(2-methyloxolan-3-yl)amino]-2-methylpropanoic acid (PubChem CID 82718981) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 3-[ethyl-(2-methyloxolan-3-yl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[ethyl-(2-methyloxolan-3-yl)amino]-2-methylpropanoic acid
PubChem CID82718981
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name3-[ethyl-(2-methyloxolan-3-yl)amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C1CCOC1C
InChIInChI=1S/C11H21NO3/c1-4-12(7-8(2)11(13)14)10-5-6-15-9(10)3/h8-10H,4-7H2,1-3H3,(H,13,14)
InChIKeyVXDQGGBCWQTXMF-UHFFFAOYSA-N
XLogP1.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[ethyl-(2-methyloxolan-3-yl)amino]-2-methylpropanoic 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-[ethyl-(2-methyloxolan-3-yl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[ethyl-(2-methyloxolan-3-yl)amino]-2-methylpropanoic acid (CID 82718981) is 3-[ethyl-(2-methyloxolan-3-yl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[ethyl-(2-methyloxolan-3-yl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[ethyl-(2-methyloxolan-3-yl)amino]-2-methylpropanoic acid is CCN(CC(C)C(=O)O)C1CCOC1C.
What is the InChIKey of 3-[ethyl-(2-methyloxolan-3-yl)amino]-2-methylpropanoic acid?
The InChIKey is VXDQGGBCWQTXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-4-12(7-8(2)11(13)14)10-5-6-15-9(10)3/h8-10H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 3-[ethyl-(2-methyloxolan-3-yl)amino]-2-methylpropanoic acid?
3-[ethyl-(2-methyloxolan-3-yl)amino]-2-methylpropanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(2-methyloxolan-3-yl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 82718981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).