4-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]oxolane-3-carboxylic acid

C16H27NO4 — CID 102899238

IUPAC4-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]oxolane-3-carboxylic acid
SMILESCCN(CC1CCC2(CCCC2)O1)C1COCC1C(=O)O
InChIInChI=1S/C16H27NO4/c1-2-17(14-11-20-10-13(14)15(18)19)9-12-5-8-16(21-12)6-3-4-7-16/h12-14H,2-11H2,1H3,(H,18,19)
InChIKeyZZPDBXWOHUCCSQ-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.90
Rot. Bonds5

About 4-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]oxolane-3-carboxylic acid

4-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]oxolane-3-carboxylic acid (PubChem CID 102899238) has the molecular formula C16H27NO4 and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]oxolane-3-carboxylic acid
PubChem CID102899238
Molecular FormulaC16H27NO4
Molecular Weight297.40 g/mol
Exact Mass297.19
IUPAC Name4-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]oxolane-3-carboxylic acid
SMILESCCN(CC1CCC2(CCCC2)O1)C1COCC1C(=O)O
InChIInChI=1S/C16H27NO4/c1-2-17(14-11-20-10-13(14)15(18)19)9-12-5-8-16(21-12)6-3-4-7-16/h12-14H,2-11H2,1H3,(H,18,19)
InChIKeyZZPDBXWOHUCCSQ-UHFFFAOYSA-N
XLogP1.90
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)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(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]oxolane-3-carboxylic acid (CID 102899238) is 4-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]oxolane-3-carboxylic acid is CCN(CC1CCC2(CCCC2)O1)C1COCC1C(=O)O.
What is the InChIKey of 4-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]oxolane-3-carboxylic acid?
The InChIKey is ZZPDBXWOHUCCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-2-17(14-11-20-10-13(14)15(18)19)9-12-5-8-16(21-12)6-3-4-7-16/h12-14H,2-11H2,1H3,(H,18,19).
What are the key properties of 4-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]oxolane-3-carboxylic acid?
4-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]oxolane-3-carboxylic acid has a molecular weight of 297.40 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 102899238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).