3-amino-4-(8-oxa-2-azaspiro[4.5]decan-2-yl)-4-oxobutanamide

C12H21N3O3 — CID 113288679

IUPAC3-amino-4-(8-oxa-2-azaspiro[4.5]decan-2-yl)-4-oxobutanamide
SMILESNC(=O)CC(N)C(=O)N1CCC2(CCOCC2)C1
InChIInChI=1S/C12H21N3O3/c13-9(7-10(14)16)11(17)15-4-1-12(8-15)2-5-18-6-3-12/h9H,1-8,13H2,(H2,14,16)
InChIKeyMYWGNNDTMIVVIW-UHFFFAOYSA-N
MW255.32 g/mol
LogP-0.78
Rot. Bonds3

About 3-amino-4-(8-oxa-2-azaspiro[4.5]decan-2-yl)-4-oxobutanamide

3-amino-4-(8-oxa-2-azaspiro[4.5]decan-2-yl)-4-oxobutanamide (PubChem CID 113288679) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-amino-4-(8-oxa-2-azaspiro[4.5]decan-2-yl)-4-oxobutanamide.

Molecular Properties

Compound Name3-amino-4-(8-oxa-2-azaspiro[4.5]decan-2-yl)-4-oxobutanamide
PubChem CID113288679
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name3-amino-4-(8-oxa-2-azaspiro[4.5]decan-2-yl)-4-oxobutanamide
SMILESNC(=O)CC(N)C(=O)N1CCC2(CCOCC2)C1
InChIInChI=1S/C12H21N3O3/c13-9(7-10(14)16)11(17)15-4-1-12(8-15)2-5-18-6-3-12/h9H,1-8,13H2,(H2,14,16)
InChIKeyMYWGNNDTMIVVIW-UHFFFAOYSA-N
XLogP-0.78
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-4-(8-oxa-2-azaspiro[4.5]decan-2-yl)-4-oxobutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-2-methyl-1-(8-oxa-2-azaspiro[4.5]decan-2-yl)butan-1-one
CID 120502174
6-(8-oxa-2-azaspiro[4.5]decan-2-yl)-6-oxohexanoic acid
CID 114279188
2-amino-N-[(4-methyloxan-4-yl)methyl]butanediamide
CID 103827766
(2R)-2-amino-1-(2-azaspiro[4.4]nonan-2-yl)propan-1-one
CID 130163238
[4-(aminomethyl)oxan-4-yl]-(6-azaspiro[3.4]octan-6-yl)methanone
CID 120933192
3-[1-(2,4-diamino-4-oxobutanoyl)piperidin-4-yl]propanoic acid
CID 62215546
4-amino-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)pentan-1-one
CID 120563784
(5-amino-1,3,4-thiadiazol-2-yl)-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone
CID 114279523
(2S)-2-amino-1-(2-azaspiro[5.5]undecan-2-yl)-4-methylpentan-1-one;hydrochloride
CID 119784790
2-amino-N-[4-(hydroxymethyl)oxan-4-yl]butanediamide
CID 106298860
3-amino-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-3-phenylpropan-1-one
CID 91659823
(3S)-3-amino-1-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]-3-phenylpropan-1-one
CID 99850208

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(8-oxa-2-azaspiro[4.5]decan-2-yl)-4-oxobutanamide?
The IUPAC name of 3-amino-4-(8-oxa-2-azaspiro[4.5]decan-2-yl)-4-oxobutanamide (CID 113288679) is 3-amino-4-(8-oxa-2-azaspiro[4.5]decan-2-yl)-4-oxobutanamide.
What is the SMILES notation for 3-amino-4-(8-oxa-2-azaspiro[4.5]decan-2-yl)-4-oxobutanamide?
The canonical SMILES for 3-amino-4-(8-oxa-2-azaspiro[4.5]decan-2-yl)-4-oxobutanamide is NC(=O)CC(N)C(=O)N1CCC2(CCOCC2)C1.
What is the InChIKey of 3-amino-4-(8-oxa-2-azaspiro[4.5]decan-2-yl)-4-oxobutanamide?
The InChIKey is MYWGNNDTMIVVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c13-9(7-10(14)16)11(17)15-4-1-12(8-15)2-5-18-6-3-12/h9H,1-8,13H2,(H2,14,16).
What are the key properties of 3-amino-4-(8-oxa-2-azaspiro[4.5]decan-2-yl)-4-oxobutanamide?
3-amino-4-(8-oxa-2-azaspiro[4.5]decan-2-yl)-4-oxobutanamide has a molecular weight of 255.32 g/mol, XLogP of -0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(8-oxa-2-azaspiro[4.5]decan-2-yl)-4-oxobutanamide is sourced from PubChem (CID 113288679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).