1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methoxypropan-2-ol

C11H21NO4 — CID 58891101

IUPAC1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methoxypropan-2-ol
SMILESCOCC(O)CN1CCC2(CC1)OCCO2
InChIInChI=1S/C11H21NO4/c1-14-9-10(13)8-12-4-2-11(3-5-12)15-6-7-16-11/h10,13H,2-9H2,1H3
InChIKeyCSQRRNSDACTNLW-UHFFFAOYSA-N
MW231.29 g/mol
LogP-0.17
Rot. Bonds4

About 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methoxypropan-2-ol

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methoxypropan-2-ol (PubChem CID 58891101) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methoxypropan-2-ol
PubChem CID58891101
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methoxypropan-2-ol
SMILESCOCC(O)CN1CCC2(CC1)OCCO2
InChIInChI=1S/C11H21NO4/c1-14-9-10(13)8-12-4-2-11(3-5-12)15-6-7-16-11/h10,13H,2-9H2,1H3
InChIKeyCSQRRNSDACTNLW-UHFFFAOYSA-N
XLogP-0.17
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methoxypropan-2-ol 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-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methoxypropan-2-ol?
The IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methoxypropan-2-ol (CID 58891101) is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methoxypropan-2-ol.
What is the SMILES notation for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methoxypropan-2-ol?
The canonical SMILES for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methoxypropan-2-ol is COCC(O)CN1CCC2(CC1)OCCO2.
What is the InChIKey of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methoxypropan-2-ol?
The InChIKey is CSQRRNSDACTNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-14-9-10(13)8-12-4-2-11(3-5-12)15-6-7-16-11/h10,13H,2-9H2,1H3.
What are the key properties of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methoxypropan-2-ol?
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methoxypropan-2-ol has a molecular weight of 231.29 g/mol, XLogP of -0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methoxypropan-2-ol is sourced from PubChem (CID 58891101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).