3-hydroxypropanamide;7-(2-methylpropylamino)-2-azaspiro[3.5]nonan-3-one

C15H29N3O3 — CID 142283693

IUPAC3-hydroxypropanamide;7-(2-methylpropylamino)-2-azaspiro[3.5]nonan-3-one
SMILESCC(C)CNC1CCC2(CC1)CNC2=O.NC(=O)CCO
InChIInChI=1S/C12H22N2O.C3H7NO2/c1-9(2)7-13-10-3-5-12(6-4-10)8-14-11(12)15;4-3(6)1-2-5/h9-10,13H,3-8H2,1-2H3,(H,14,15);5H,1-2H2,(H2,4,6)
InChIKeyFCIUHJFPORMAAB-UHFFFAOYSA-N
MW299.42 g/mol
LogP0.14
Rot. Bonds5

About 3-hydroxypropanamide;7-(2-methylpropylamino)-2-azaspiro[3.5]nonan-3-one

3-hydroxypropanamide;7-(2-methylpropylamino)-2-azaspiro[3.5]nonan-3-one (PubChem CID 142283693) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is 3-hydroxypropanamide;7-(2-methylpropylamino)-2-azaspiro[3.5]nonan-3-one.

Molecular Properties

Compound Name3-hydroxypropanamide;7-(2-methylpropylamino)-2-azaspiro[3.5]nonan-3-one
PubChem CID142283693
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC Name3-hydroxypropanamide;7-(2-methylpropylamino)-2-azaspiro[3.5]nonan-3-one
SMILESCC(C)CNC1CCC2(CC1)CNC2=O.NC(=O)CCO
InChIInChI=1S/C12H22N2O.C3H7NO2/c1-9(2)7-13-10-3-5-12(6-4-10)8-14-11(12)15;4-3(6)1-2-5/h9-10,13H,3-8H2,1-2H3,(H,14,15);5H,1-2H2,(H2,4,6)
InChIKeyFCIUHJFPORMAAB-UHFFFAOYSA-N
XLogP0.14
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 50.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxypropanamide;7-(2-methylpropylamino)-2-azaspiro[3.5]nonan-3-one?
The IUPAC name of 3-hydroxypropanamide;7-(2-methylpropylamino)-2-azaspiro[3.5]nonan-3-one (CID 142283693) is 3-hydroxypropanamide;7-(2-methylpropylamino)-2-azaspiro[3.5]nonan-3-one.
What is the SMILES notation for 3-hydroxypropanamide;7-(2-methylpropylamino)-2-azaspiro[3.5]nonan-3-one?
The canonical SMILES for 3-hydroxypropanamide;7-(2-methylpropylamino)-2-azaspiro[3.5]nonan-3-one is CC(C)CNC1CCC2(CC1)CNC2=O.NC(=O)CCO.
What is the InChIKey of 3-hydroxypropanamide;7-(2-methylpropylamino)-2-azaspiro[3.5]nonan-3-one?
The InChIKey is FCIUHJFPORMAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O.C3H7NO2/c1-9(2)7-13-10-3-5-12(6-4-10)8-14-11(12)15;4-3(6)1-2-5/h9-10,13H,3-8H2,1-2H3,(H,14,15);5H,1-2H2,(H2,4,6).
What are the key properties of 3-hydroxypropanamide;7-(2-methylpropylamino)-2-azaspiro[3.5]nonan-3-one?
3-hydroxypropanamide;7-(2-methylpropylamino)-2-azaspiro[3.5]nonan-3-one has a molecular weight of 299.42 g/mol, XLogP of 0.14, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxypropanamide;7-(2-methylpropylamino)-2-azaspiro[3.5]nonan-3-one is sourced from PubChem (CID 142283693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).