4-[ethyl(2-methylpentyl)amino]oxolane-3-carboxylic acid

C13H25NO3 — CID 66245114

IUPAC4-[ethyl(2-methylpentyl)amino]oxolane-3-carboxylic acid
SMILESCCCC(C)CN(CC)C1COCC1C(=O)O
InChIInChI=1S/C13H25NO3/c1-4-6-10(3)7-14(5-2)12-9-17-8-11(12)13(15)16/h10-12H,4-9H2,1-3H3,(H,15,16)
InChIKeyPXZRGXNSQVIOQO-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.84
Rot. Bonds7

About 4-[ethyl(2-methylpentyl)amino]oxolane-3-carboxylic acid

4-[ethyl(2-methylpentyl)amino]oxolane-3-carboxylic acid (PubChem CID 66245114) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-[ethyl(2-methylpentyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl(2-methylpentyl)amino]oxolane-3-carboxylic acid
PubChem CID66245114
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name4-[ethyl(2-methylpentyl)amino]oxolane-3-carboxylic acid
SMILESCCCC(C)CN(CC)C1COCC1C(=O)O
InChIInChI=1S/C13H25NO3/c1-4-6-10(3)7-14(5-2)12-9-17-8-11(12)13(15)16/h10-12H,4-9H2,1-3H3,(H,15,16)
InChIKeyPXZRGXNSQVIOQO-UHFFFAOYSA-N
XLogP1.84
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[ethyl(2-methylpentyl)amino]oxolane-3-carboxylic 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 4-[ethyl(2-methylpentyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl(2-methylpentyl)amino]oxolane-3-carboxylic acid (CID 66245114) is 4-[ethyl(2-methylpentyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl(2-methylpentyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl(2-methylpentyl)amino]oxolane-3-carboxylic acid is CCCC(C)CN(CC)C1COCC1C(=O)O.
What is the InChIKey of 4-[ethyl(2-methylpentyl)amino]oxolane-3-carboxylic acid?
The InChIKey is PXZRGXNSQVIOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-4-6-10(3)7-14(5-2)12-9-17-8-11(12)13(15)16/h10-12H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 4-[ethyl(2-methylpentyl)amino]oxolane-3-carboxylic acid?
4-[ethyl(2-methylpentyl)amino]oxolane-3-carboxylic acid has a molecular weight of 243.35 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(2-methylpentyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66245114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).