2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-(prop-2-enylcarbamoyl)acetamide

C13H21N3O3 — CID 63768899

IUPAC2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)CN1C2CCC1CC(O)C2
InChIInChI=1S/C13H21N3O3/c1-2-5-14-13(19)15-12(18)8-16-9-3-4-10(16)7-11(17)6-9/h2,9-11,17H,1,3-8H2,(H2,14,15,18,19)
InChIKeyGXPDCDFUYNJLQN-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.01
Rot. Bonds4

About 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-(prop-2-enylcarbamoyl)acetamide

2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-(prop-2-enylcarbamoyl)acetamide (PubChem CID 63768899) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-(prop-2-enylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-(prop-2-enylcarbamoyl)acetamide
PubChem CID63768899
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)CN1C2CCC1CC(O)C2
InChIInChI=1S/C13H21N3O3/c1-2-5-14-13(19)15-12(18)8-16-9-3-4-10(16)7-11(17)6-9/h2,9-11,17H,1,3-8H2,(H2,14,15,18,19)
InChIKeyGXPDCDFUYNJLQN-UHFFFAOYSA-N
XLogP-0.01
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-methylacetamide
CID 63768000
2-(azepan-1-yl)-N-(prop-2-enylcarbamoyl)acetamide
CID 27131769
2-piperidin-1-yl-N-(prop-2-enylcarbamoyl)acetamide
CID 27131383
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
CID 62014153
2-methyl-1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 79370158
2-(3-methylpiperidin-1-yl)-N-(prop-2-enylcarbamoyl)acetamide
CID 51170634
N-(prop-2-enylcarbamoyl)but-3-enamide
CID 87949156
2-[2-(hydroxymethyl)azepan-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
CID 116637853
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
CID 63595189
N-(2-cyanoethyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)acetamide
CID 55235283
2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-phenylacetamide
CID 55237220
2-[2-(aminomethyl)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide;hydrochloride
CID 119916141

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-(prop-2-enylcarbamoyl)acetamide?
The IUPAC name of 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-(prop-2-enylcarbamoyl)acetamide (CID 63768899) is 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-(prop-2-enylcarbamoyl)acetamide.
What is the SMILES notation for 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-(prop-2-enylcarbamoyl)acetamide?
The canonical SMILES for 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-(prop-2-enylcarbamoyl)acetamide is C=CCNC(=O)NC(=O)CN1C2CCC1CC(O)C2.
What is the InChIKey of 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-(prop-2-enylcarbamoyl)acetamide?
The InChIKey is GXPDCDFUYNJLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-2-5-14-13(19)15-12(18)8-16-9-3-4-10(16)7-11(17)6-9/h2,9-11,17H,1,3-8H2,(H2,14,15,18,19).
What are the key properties of 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-(prop-2-enylcarbamoyl)acetamide?
2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-(prop-2-enylcarbamoyl)acetamide has a molecular weight of 267.33 g/mol, XLogP of -0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-(prop-2-enylcarbamoyl)acetamide is sourced from PubChem (CID 63768899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).