(1S,5R)-6-(2-morpholin-4-ylethylcarbamoyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid

C13H21N3O4 — CID 134346993

IUPAC(1S,5R)-6-(2-morpholin-4-ylethylcarbamoyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
SMILESO=C(NCCN1CCOCC1)C1[C@H]2CN(C(=O)O)C[C@@H]12
InChIInChI=1S/C13H21N3O4/c17-12(14-1-2-15-3-5-20-6-4-15)11-9-7-16(13(18)19)8-10(9)11/h9-11H,1-8H2,(H,14,17)(H,18,19)/t9-,10+,11?
InChIKeyWYHNMQUCZIQWAJ-ZACCUICWSA-N
MW283.33 g/mol
LogP-0.71
Rot. Bonds4

About (1S,5R)-6-(2-morpholin-4-ylethylcarbamoyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid

(1S,5R)-6-(2-morpholin-4-ylethylcarbamoyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid (PubChem CID 134346993) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is (1S,5R)-6-(2-morpholin-4-ylethylcarbamoyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid.

Molecular Properties

Compound Name(1S,5R)-6-(2-morpholin-4-ylethylcarbamoyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
PubChem CID134346993
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name(1S,5R)-6-(2-morpholin-4-ylethylcarbamoyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
SMILESO=C(NCCN1CCOCC1)C1[C@H]2CN(C(=O)O)C[C@@H]12
InChIInChI=1S/C13H21N3O4/c17-12(14-1-2-15-3-5-20-6-4-15)11-9-7-16(13(18)19)8-10(9)11/h9-11H,1-8H2,(H,14,17)(H,18,19)/t9-,10+,11?
InChIKeyWYHNMQUCZIQWAJ-ZACCUICWSA-N
XLogP-0.71
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1S,5R)-6-(2-morpholin-4-ylethylcarbamoyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid with MolForge

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Related Compounds

N-(2-morpholin-4-ylethyl)adamantane-2-carboxamide
CID 51250747
3-(2-morpholin-4-ylethylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 68666196
N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
CID 110689653
4-methyl-2-(2-morpholin-4-ylethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114390357
1-(2-morpholin-4-ylethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62095713
(1R,2S,3R,4R)-3-(3-morpholin-4-ylpropylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 100743849
(1R,2S,3S,4R)-3-(3-morpholin-4-ylpropylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 124715373
1-methyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
CID 110849698
2,2,2-trichloro-N-(2-morpholin-4-ylethyl)acetamide
CID 3533686
N-(2-morpholin-4-ylethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3448160
methyl 4-(2-morpholin-4-ylethylcarbamoyl)piperidine-1-carboxylate
CID 110754087
3-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-3-oxopropanamide
CID 108943424

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-6-(2-morpholin-4-ylethylcarbamoyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid?
The IUPAC name of (1S,5R)-6-(2-morpholin-4-ylethylcarbamoyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid (CID 134346993) is (1S,5R)-6-(2-morpholin-4-ylethylcarbamoyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid.
What is the SMILES notation for (1S,5R)-6-(2-morpholin-4-ylethylcarbamoyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid?
The canonical SMILES for (1S,5R)-6-(2-morpholin-4-ylethylcarbamoyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid is O=C(NCCN1CCOCC1)C1[C@H]2CN(C(=O)O)C[C@@H]12.
What is the InChIKey of (1S,5R)-6-(2-morpholin-4-ylethylcarbamoyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid?
The InChIKey is WYHNMQUCZIQWAJ-ZACCUICWSA-N. The full InChI is InChI=1S/C13H21N3O4/c17-12(14-1-2-15-3-5-20-6-4-15)11-9-7-16(13(18)19)8-10(9)11/h9-11H,1-8H2,(H,14,17)(H,18,19)/t9-,10+,11?.
What are the key properties of (1S,5R)-6-(2-morpholin-4-ylethylcarbamoyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid?
(1S,5R)-6-(2-morpholin-4-ylethylcarbamoyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid has a molecular weight of 283.33 g/mol, XLogP of -0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-6-(2-morpholin-4-ylethylcarbamoyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid is sourced from PubChem (CID 134346993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).