(2R)-3-hydroxy-N,N-dimethyl-7-oxabicyclo[2.2.1]heptane-2-carboxamide

C9H15NO3 — CID 146233971

IUPAC(2R)-3-hydroxy-N,N-dimethyl-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESCN(C)C(=O)[C@H]1C2CCC(O2)C1O
InChIInChI=1S/C9H15NO3/c1-10(2)9(12)7-5-3-4-6(13-5)8(7)11/h5-8,11H,3-4H2,1-2H3/t5?,6?,7-,8?/m0/s1
InChIKeyGSEAZWPQVLKOLN-UWWAEOQPSA-N
MW185.22 g/mol
LogP-0.39
Rot. Bonds1

About (2R)-3-hydroxy-N,N-dimethyl-7-oxabicyclo[2.2.1]heptane-2-carboxamide

(2R)-3-hydroxy-N,N-dimethyl-7-oxabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 146233971) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is (2R)-3-hydroxy-N,N-dimethyl-7-oxabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(2R)-3-hydroxy-N,N-dimethyl-7-oxabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID146233971
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name(2R)-3-hydroxy-N,N-dimethyl-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESCN(C)C(=O)[C@H]1C2CCC(O2)C1O
InChIInChI=1S/C9H15NO3/c1-10(2)9(12)7-5-3-4-6(13-5)8(7)11/h5-8,11H,3-4H2,1-2H3/t5?,6?,7-,8?/m0/s1
InChIKeyGSEAZWPQVLKOLN-UWWAEOQPSA-N
XLogP-0.39
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

dimethylazanium;3-(dimethylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylate
CID 47012638
3-[hydroxy(methyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 130949991
7-oxabicyclo[2.2.1]heptane-2,3-diol
CID 130146529
(1S,2S,3R,4S)-2-N,2-N,3-N,3-N-tetramethylbicyclo[2.2.1]heptane-2,3-dicarboxamide
CID 98532778
potassium (1R,2R,3S,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
CID 85469394
(1R,5R,6R,7S)-6-N,6-N,7-N,7-N-tetramethylbicyclo[3.2.2]nonane-6,7-dicarboxamide
CID 98525013
sodium;(1S,3S,4S)-4-bromo-3-hydroxy-N,N-dimethylcyclohexane-1-carboxamide;(1S,3S,6R)-N,N-dimethyl-7-oxabicyclo[4.1.0]heptane-3-carboxamide;hydroxide
CID 162157967
(1S,2R,3S,4S)-3-(diethylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 98297201
(1S,2R,3S,4R)-3-(diethylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 11922867
3-(1-hydroxyethenyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 144845992
(1R,4S)-3-acetyl-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 59351997
(1S,3S,4S)-3-amino-4-hydroxy-N,N-dimethylcyclohexane-1-carboxamide
CID 170648409

Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-N,N-dimethyl-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (2R)-3-hydroxy-N,N-dimethyl-7-oxabicyclo[2.2.1]heptane-2-carboxamide (CID 146233971) is (2R)-3-hydroxy-N,N-dimethyl-7-oxabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (2R)-3-hydroxy-N,N-dimethyl-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (2R)-3-hydroxy-N,N-dimethyl-7-oxabicyclo[2.2.1]heptane-2-carboxamide is CN(C)C(=O)[C@H]1C2CCC(O2)C1O.
What is the InChIKey of (2R)-3-hydroxy-N,N-dimethyl-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is GSEAZWPQVLKOLN-UWWAEOQPSA-N. The full InChI is InChI=1S/C9H15NO3/c1-10(2)9(12)7-5-3-4-6(13-5)8(7)11/h5-8,11H,3-4H2,1-2H3/t5?,6?,7-,8?/m0/s1.
What are the key properties of (2R)-3-hydroxy-N,N-dimethyl-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
(2R)-3-hydroxy-N,N-dimethyl-7-oxabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 185.22 g/mol, XLogP of -0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-N,N-dimethyl-7-oxabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 146233971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).