3-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-4-methylpentan-1-one

C12H24N2O2 — CID 107220182

IUPAC3-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-4-methylpentan-1-one
SMILESCC(C)C(N)CC(=O)N1CC(O)(C(C)C)C1
InChIInChI=1S/C12H24N2O2/c1-8(2)10(13)5-11(15)14-6-12(16,7-14)9(3)4/h8-10,16H,5-7,13H2,1-4H3
InChIKeyWDORTEPFMQQAKH-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.59
Rot. Bonds4

About 3-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-4-methylpentan-1-one

3-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-4-methylpentan-1-one (PubChem CID 107220182) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-4-methylpentan-1-one.

Molecular Properties

Compound Name3-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-4-methylpentan-1-one
PubChem CID107220182
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-4-methylpentan-1-one
SMILESCC(C)C(N)CC(=O)N1CC(O)(C(C)C)C1
InChIInChI=1S/C12H24N2O2/c1-8(2)10(13)5-11(15)14-6-12(16,7-14)9(3)4/h8-10,16H,5-7,13H2,1-4H3
InChIKeyWDORTEPFMQQAKH-UHFFFAOYSA-N
XLogP0.59
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-4-methylpentan-1-one 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

(2S)-2-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-3-methylbutan-1-one
CID 107220163
(2S)-2-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)propan-1-one
CID 107220086
1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-2-(propan-2-ylamino)ethanone
CID 107220230
5-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-5-oxopentanoic acid
CID 107214631
3-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-4-methylpentan-1-one
CID 114408795
3-(ethylamino)-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)propan-1-one
CID 107220129
4-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-4-phenylbutan-1-one
CID 107220236
3-amino-1-(3-hydroxy-3-methylazetidin-1-yl)-4,4-dimethylpentan-1-one
CID 107219373
3-amino-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-4-methylpentan-1-one
CID 59444222
1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-3-piperidin-4-ylpropan-1-one
CID 107220234
N-(2-aminoethyl)-2-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-2-oxoacetamide
CID 107211832
azepan-1-yl-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
CID 79152113

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-4-methylpentan-1-one?
The IUPAC name of 3-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-4-methylpentan-1-one (CID 107220182) is 3-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-4-methylpentan-1-one.
What is the SMILES notation for 3-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-4-methylpentan-1-one?
The canonical SMILES for 3-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-4-methylpentan-1-one is CC(C)C(N)CC(=O)N1CC(O)(C(C)C)C1.
What is the InChIKey of 3-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-4-methylpentan-1-one?
The InChIKey is WDORTEPFMQQAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-8(2)10(13)5-11(15)14-6-12(16,7-14)9(3)4/h8-10,16H,5-7,13H2,1-4H3.
What are the key properties of 3-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-4-methylpentan-1-one?
3-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-4-methylpentan-1-one has a molecular weight of 228.34 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-4-methylpentan-1-one is sourced from PubChem (CID 107220182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).