2-amino-3-cyclohexyl-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one

C14H26N2O2 — CID 114264852

IUPAC2-amino-3-cyclohexyl-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one
SMILESCCC1(O)CN(C(=O)C(N)CC2CCCCC2)C1
InChIInChI=1S/C14H26N2O2/c1-2-14(18)9-16(10-14)13(17)12(15)8-11-6-4-3-5-7-11/h11-12,18H,2-10,15H2,1H3
InChIKeyRQUXNVZBCHLRSI-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.27
Rot. Bonds4

About 2-amino-3-cyclohexyl-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one

2-amino-3-cyclohexyl-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one (PubChem CID 114264852) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-amino-3-cyclohexyl-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-3-cyclohexyl-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one
PubChem CID114264852
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-amino-3-cyclohexyl-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one
SMILESCCC1(O)CN(C(=O)C(N)CC2CCCCC2)C1
InChIInChI=1S/C14H26N2O2/c1-2-14(18)9-16(10-14)13(17)12(15)8-11-6-4-3-5-7-11/h11-12,18H,2-10,15H2,1H3
InChIKeyRQUXNVZBCHLRSI-UHFFFAOYSA-N
XLogP1.27
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-3-cyclohexyl-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-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

3-amino-4-(3-ethyl-3-hydroxyazetidin-1-yl)-4-oxobutanoic acid
CID 107219711
3-amino-3-cyclopropyl-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one
CID 107219609
1-(2-amino-3-cyclohexylpropanoyl)piperidine-4-carboxamide;hydrochloride
CID 138041082
3-amino-4-cyclohexylbutan-2-one
CID 20668322
(2S)-2-amino-1-(3-ethyl-3-hydroxyazetidin-1-yl)-3-methylpentan-1-one
CID 107219570
ethyl (2S)-2-amino-3-cyclohexylpropanoate;hydrochloride
CID 67876797
2-amino-3-cyclohexyl-N,N-dimethylpropanamide
CID 83618462
(2R)-2-amino-1-cyclohexyl-4,4-dimethylpentan-3-one
CID 121368311
1-[(2S)-2-amino-3-cyclopropylpropanoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 112735416
1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclohexyl-2-methylpropan-1-one;hydrochloride
CID 119519329
[4-[(2S)-2-amino-3-oxo-3-pyrrolidin-1-ylpropyl]cyclohexyl] N,N-diethylcarbamate
CID 143146345
2-amino-1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]pentan-1-one
CID 119300410

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-cyclohexyl-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one?
The IUPAC name of 2-amino-3-cyclohexyl-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one (CID 114264852) is 2-amino-3-cyclohexyl-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one.
What is the SMILES notation for 2-amino-3-cyclohexyl-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one?
The canonical SMILES for 2-amino-3-cyclohexyl-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one is CCC1(O)CN(C(=O)C(N)CC2CCCCC2)C1.
What is the InChIKey of 2-amino-3-cyclohexyl-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one?
The InChIKey is RQUXNVZBCHLRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-2-14(18)9-16(10-14)13(17)12(15)8-11-6-4-3-5-7-11/h11-12,18H,2-10,15H2,1H3.
What are the key properties of 2-amino-3-cyclohexyl-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one?
2-amino-3-cyclohexyl-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one has a molecular weight of 254.37 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-cyclohexyl-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one is sourced from PubChem (CID 114264852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).