3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-(methylcarbamoyl)propanamide

C12H21N3O3 — CID 63770145

IUPAC3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)CCN1C2CCC1CC(O)C2
InChIInChI=1S/C12H21N3O3/c1-13-12(18)14-11(17)4-5-15-8-2-3-9(15)7-10(16)6-8/h8-10,16H,2-7H2,1H3,(H2,13,14,17,18)
InChIKeyZIDMKMRNDZMMEX-UHFFFAOYSA-N
MW255.32 g/mol
LogP-0.18
Rot. Bonds3

About 3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-(methylcarbamoyl)propanamide

3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-(methylcarbamoyl)propanamide (PubChem CID 63770145) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-(methylcarbamoyl)propanamide
PubChem CID63770145
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)CCN1C2CCC1CC(O)C2
InChIInChI=1S/C12H21N3O3/c1-13-12(18)14-11(17)4-5-15-8-2-3-9(15)7-10(16)6-8/h8-10,16H,2-7H2,1H3,(H2,13,14,17,18)
InChIKeyZIDMKMRNDZMMEX-UHFFFAOYSA-N
XLogP-0.18
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-(methylcarbamoyl)propanamide?
The IUPAC name of 3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-(methylcarbamoyl)propanamide (CID 63770145) is 3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)CCN1C2CCC1CC(O)C2.
What is the InChIKey of 3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-(methylcarbamoyl)propanamide?
The InChIKey is ZIDMKMRNDZMMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-13-12(18)14-11(17)4-5-15-8-2-3-9(15)7-10(16)6-8/h8-10,16H,2-7H2,1H3,(H2,13,14,17,18).
What are the key properties of 3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-(methylcarbamoyl)propanamide?
3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-(methylcarbamoyl)propanamide has a molecular weight of 255.32 g/mol, XLogP of -0.18, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 63770145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).