(2S)-2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-3-methylpentan-1-one

C12H24N2O2 — CID 107219842

IUPAC(2S)-2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-3-methylpentan-1-one
SMILESCCCC1(O)CN(C(=O)[C@@H](N)C(C)CC)C1
InChIInChI=1S/C12H24N2O2/c1-4-6-12(16)7-14(8-12)11(15)10(13)9(3)5-2/h9-10,16H,4-8,13H2,1-3H3/t9?,10-/m0/s1
InChIKeyHQYNZESEEKEXLO-AXDSSHIGSA-N
MW228.34 g/mol
LogP0.73
Rot. Bonds5

About (2S)-2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-3-methylpentan-1-one

(2S)-2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-3-methylpentan-1-one (PubChem CID 107219842) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (2S)-2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-3-methylpentan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-3-methylpentan-1-one
PubChem CID107219842
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name(2S)-2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-3-methylpentan-1-one
SMILESCCCC1(O)CN(C(=O)[C@@H](N)C(C)CC)C1
InChIInChI=1S/C12H24N2O2/c1-4-6-12(16)7-14(8-12)11(15)10(13)9(3)5-2/h9-10,16H,4-8,13H2,1-3H3/t9?,10-/m0/s1
InChIKeyHQYNZESEEKEXLO-AXDSSHIGSA-N
XLogP0.73
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-3-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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-3-methylpentan-1-one?
The IUPAC name of (2S)-2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-3-methylpentan-1-one (CID 107219842) is (2S)-2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-3-methylpentan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-3-methylpentan-1-one?
The canonical SMILES for (2S)-2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-3-methylpentan-1-one is CCCC1(O)CN(C(=O)[C@@H](N)C(C)CC)C1.
What is the InChIKey of (2S)-2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-3-methylpentan-1-one?
The InChIKey is HQYNZESEEKEXLO-AXDSSHIGSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-6-12(16)7-14(8-12)11(15)10(13)9(3)5-2/h9-10,16H,4-8,13H2,1-3H3/t9?,10-/m0/s1.
What are the key properties of (2S)-2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-3-methylpentan-1-one?
(2S)-2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-3-methylpentan-1-one has a molecular weight of 228.34 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-3-methylpentan-1-one is sourced from PubChem (CID 107219842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).