1-(1,9-dioxaspiro[5.5]undecan-4-ylamino)cyclobutane-1-carboxylic acid

C14H23NO4 — CID 81167826

IUPAC1-(1,9-dioxaspiro[5.5]undecan-4-ylamino)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(NC2CCOC3(CCOCC3)C2)CCC1
InChIInChI=1S/C14H23NO4/c16-12(17)14(3-1-4-14)15-11-2-7-19-13(10-11)5-8-18-9-6-13/h11,15H,1-10H2,(H,16,17)
InChIKeyKTJSXRVPGBSKMA-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.31
Rot. Bonds3

About 1-(1,9-dioxaspiro[5.5]undecan-4-ylamino)cyclobutane-1-carboxylic acid

1-(1,9-dioxaspiro[5.5]undecan-4-ylamino)cyclobutane-1-carboxylic acid (PubChem CID 81167826) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-(1,9-dioxaspiro[5.5]undecan-4-ylamino)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1,9-dioxaspiro[5.5]undecan-4-ylamino)cyclobutane-1-carboxylic acid
PubChem CID81167826
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name1-(1,9-dioxaspiro[5.5]undecan-4-ylamino)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(NC2CCOC3(CCOCC3)C2)CCC1
InChIInChI=1S/C14H23NO4/c16-12(17)14(3-1-4-14)15-11-2-7-19-13(10-11)5-8-18-9-6-13/h11,15H,1-10H2,(H,16,17)
InChIKeyKTJSXRVPGBSKMA-UHFFFAOYSA-N
XLogP1.31
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1,9-dioxaspiro[5.5]undecan-4-ylamino)cyclobutane-1-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 1-(1,9-dioxaspiro[5.5]undecan-4-ylamino)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-ylamino)cyclobutane-1-carboxylic acid (CID 81167826) is 1-(1,9-dioxaspiro[5.5]undecan-4-ylamino)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(1,9-dioxaspiro[5.5]undecan-4-ylamino)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(1,9-dioxaspiro[5.5]undecan-4-ylamino)cyclobutane-1-carboxylic acid is O=C(O)C1(NC2CCOC3(CCOCC3)C2)CCC1.
What is the InChIKey of 1-(1,9-dioxaspiro[5.5]undecan-4-ylamino)cyclobutane-1-carboxylic acid?
The InChIKey is KTJSXRVPGBSKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c16-12(17)14(3-1-4-14)15-11-2-7-19-13(10-11)5-8-18-9-6-13/h11,15H,1-10H2,(H,16,17).
What are the key properties of 1-(1,9-dioxaspiro[5.5]undecan-4-ylamino)cyclobutane-1-carboxylic acid?
1-(1,9-dioxaspiro[5.5]undecan-4-ylamino)cyclobutane-1-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,9-dioxaspiro[5.5]undecan-4-ylamino)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81167826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).