(1R,5S)-6-(dimethylcarbamoyloxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid

C10H16N2O4 — CID 134346978

IUPAC(1R,5S)-6-(dimethylcarbamoyloxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
SMILESCN(C)C(=O)OCC1[C@H]2CN(C(=O)O)C[C@@H]12
InChIInChI=1S/C10H16N2O4/c1-11(2)10(15)16-5-8-6-3-12(9(13)14)4-7(6)8/h6-8H,3-5H2,1-2H3,(H,13,14)/t6-,7+,8?
InChIKeyOQIQTEZDNSITFZ-DHBOJHSNSA-N
MW228.25 g/mol
LogP0.54
Rot. Bonds2

About (1R,5S)-6-(dimethylcarbamoyloxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid

(1R,5S)-6-(dimethylcarbamoyloxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid (PubChem CID 134346978) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is (1R,5S)-6-(dimethylcarbamoyloxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid.

Molecular Properties

Compound Name(1R,5S)-6-(dimethylcarbamoyloxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
PubChem CID134346978
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name(1R,5S)-6-(dimethylcarbamoyloxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
SMILESCN(C)C(=O)OCC1[C@H]2CN(C(=O)O)C[C@@H]12
InChIInChI=1S/C10H16N2O4/c1-11(2)10(15)16-5-8-6-3-12(9(13)14)4-7(6)8/h6-8H,3-5H2,1-2H3,(H,13,14)/t6-,7+,8?
InChIKeyOQIQTEZDNSITFZ-DHBOJHSNSA-N
XLogP0.54
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dimethylcarbamoyloxymethyl)azetidine-1-carboxylic acid
CID 126643615
[(1S,2R)-2-aminocyclopropyl]methyl N,N-dimethylcarbamate
CID 122191908
cyclobutylmethyl N,N-dimethylcarbamate
CID 142239565
(3S)-3-(dimethylcarbamoyloxy)pyrrolidine-1-carboxylic acid
CID 135304476
cyclohexylmethyl N,N-dimethylcarbamate
CID 12696074
3-amino-4-(methylsulfonyloxymethyl)pyrrolidine-1-carboxylic acid
CID 22646800
ethane;[(2R,5R)-5-ethyl-5-(hydroxymethyl)-1-methylpyrrolidin-2-yl]methyl N,N-dimethylcarbamate
CID 169182516
[2-(aminomethyl)cyclohexyl]methyl N,N-dimethylcarbamate
CID 79337568
morpholin-2-ylmethyl N,N-dimethylcarbamate
CID 114469366
[(3S,8S)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N,N-dimethylcarbamate
CID 170374647
[(2S)-pyrrolidin-2-yl]methyl N,N-dimethylcarbamate
CID 90890613
(3R,4R)-3,4-diaminopyrrolidine-1-carboxylic acid
CID 134211031

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-6-(dimethylcarbamoyloxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid?
The IUPAC name of (1R,5S)-6-(dimethylcarbamoyloxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid (CID 134346978) is (1R,5S)-6-(dimethylcarbamoyloxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid.
What is the SMILES notation for (1R,5S)-6-(dimethylcarbamoyloxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid?
The canonical SMILES for (1R,5S)-6-(dimethylcarbamoyloxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid is CN(C)C(=O)OCC1[C@H]2CN(C(=O)O)C[C@@H]12.
What is the InChIKey of (1R,5S)-6-(dimethylcarbamoyloxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid?
The InChIKey is OQIQTEZDNSITFZ-DHBOJHSNSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-11(2)10(15)16-5-8-6-3-12(9(13)14)4-7(6)8/h6-8H,3-5H2,1-2H3,(H,13,14)/t6-,7+,8?.
What are the key properties of (1R,5S)-6-(dimethylcarbamoyloxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid?
(1R,5S)-6-(dimethylcarbamoyloxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid has a molecular weight of 228.25 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-6-(dimethylcarbamoyloxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid is sourced from PubChem (CID 134346978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).