(1S,5S,6R)-N-[2-(dimethylamino)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide

C11H21N3O2 — CID 98780431

IUPAC(1S,5S,6R)-N-[2-(dimethylamino)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
SMILESCN(C)CCNC(=O)[C@@H]1C[C@H]2CNC[C@H]1O2
InChIInChI=1S/C11H21N3O2/c1-14(2)4-3-13-11(15)9-5-8-6-12-7-10(9)16-8/h8-10,12H,3-7H2,1-2H3,(H,13,15)/t8-,9+,10+/m0/s1
InChIKeySZCHMHSVAZSFAL-IVZWLZJFSA-N
MW227.31 g/mol
LogP-0.96
Rot. Bonds4

About (1S,5S,6R)-N-[2-(dimethylamino)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide

(1S,5S,6R)-N-[2-(dimethylamino)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide (PubChem CID 98780431) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is (1S,5S,6R)-N-[2-(dimethylamino)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide.

Molecular Properties

Compound Name(1S,5S,6R)-N-[2-(dimethylamino)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
PubChem CID98780431
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name(1S,5S,6R)-N-[2-(dimethylamino)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
SMILESCN(C)CCNC(=O)[C@@H]1C[C@H]2CNC[C@H]1O2
InChIInChI=1S/C11H21N3O2/c1-14(2)4-3-13-11(15)9-5-8-6-12-7-10(9)16-8/h8-10,12H,3-7H2,1-2H3,(H,13,15)/t8-,9+,10+/m0/s1
InChIKeySZCHMHSVAZSFAL-IVZWLZJFSA-N
XLogP-0.96
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,5S,6R)-N-[2-(dimethylamino)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide?
The IUPAC name of (1S,5S,6R)-N-[2-(dimethylamino)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide (CID 98780431) is (1S,5S,6R)-N-[2-(dimethylamino)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide.
What is the SMILES notation for (1S,5S,6R)-N-[2-(dimethylamino)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide?
The canonical SMILES for (1S,5S,6R)-N-[2-(dimethylamino)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide is CN(C)CCNC(=O)[C@@H]1C[C@H]2CNC[C@H]1O2.
What is the InChIKey of (1S,5S,6R)-N-[2-(dimethylamino)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide?
The InChIKey is SZCHMHSVAZSFAL-IVZWLZJFSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-14(2)4-3-13-11(15)9-5-8-6-12-7-10(9)16-8/h8-10,12H,3-7H2,1-2H3,(H,13,15)/t8-,9+,10+/m0/s1.
What are the key properties of (1S,5S,6R)-N-[2-(dimethylamino)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide?
(1S,5S,6R)-N-[2-(dimethylamino)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide has a molecular weight of 227.31 g/mol, XLogP of -0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S,6R)-N-[2-(dimethylamino)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide is sourced from PubChem (CID 98780431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).