(1S,11R)-2-(2-cyclopentylacetyl)-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one

C18H30N2O3 — CID 110202152

IUPAC(1S,11R)-2-(2-cyclopentylacetyl)-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one
SMILESO=C1NCCOCCCN(C(=O)CC2CCCC2)[C@H]2CCC[C@@H]12
InChIInChI=1S/C18H30N2O3/c21-17(13-14-5-1-2-6-14)20-10-4-11-23-12-9-19-18(22)15-7-3-8-16(15)20/h14-16H,1-13H2,(H,19,22)/t15-,16+/m1/s1
InChIKeyBHMPWTKDMQWFCF-CVEARBPZSA-N
MW322.45 g/mol
LogP2.10
Rot. Bonds2

About (1S,11R)-2-(2-cyclopentylacetyl)-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one

(1S,11R)-2-(2-cyclopentylacetyl)-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one (PubChem CID 110202152) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is (1S,11R)-2-(2-cyclopentylacetyl)-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one.

Molecular Properties

Compound Name(1S,11R)-2-(2-cyclopentylacetyl)-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one
PubChem CID110202152
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Name(1S,11R)-2-(2-cyclopentylacetyl)-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one
SMILESO=C1NCCOCCCN(C(=O)CC2CCCC2)[C@H]2CCC[C@@H]12
InChIInChI=1S/C18H30N2O3/c21-17(13-14-5-1-2-6-14)20-10-4-11-23-12-9-19-18(22)15-7-3-8-16(15)20/h14-16H,1-13H2,(H,19,22)/t15-,16+/m1/s1
InChIKeyBHMPWTKDMQWFCF-CVEARBPZSA-N
XLogP2.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S,11R)-2-(2-cyclopentylacetyl)-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one 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 (1S,11R)-2-(2-cyclopentylacetyl)-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
The IUPAC name of (1S,11R)-2-(2-cyclopentylacetyl)-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one (CID 110202152) is (1S,11R)-2-(2-cyclopentylacetyl)-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one.
What is the SMILES notation for (1S,11R)-2-(2-cyclopentylacetyl)-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
The canonical SMILES for (1S,11R)-2-(2-cyclopentylacetyl)-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one is O=C1NCCOCCCN(C(=O)CC2CCCC2)[C@H]2CCC[C@@H]12.
What is the InChIKey of (1S,11R)-2-(2-cyclopentylacetyl)-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
The InChIKey is BHMPWTKDMQWFCF-CVEARBPZSA-N. The full InChI is InChI=1S/C18H30N2O3/c21-17(13-14-5-1-2-6-14)20-10-4-11-23-12-9-19-18(22)15-7-3-8-16(15)20/h14-16H,1-13H2,(H,19,22)/t15-,16+/m1/s1.
What are the key properties of (1S,11R)-2-(2-cyclopentylacetyl)-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
(1S,11R)-2-(2-cyclopentylacetyl)-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one has a molecular weight of 322.45 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,11R)-2-(2-cyclopentylacetyl)-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one is sourced from PubChem (CID 110202152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).