(2S)-2-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-methylpentan-1-one

C13H26N2O3 — CID 104969811

IUPAC(2S)-2-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-methylpentan-1-one
SMILESCCC(C)[C@H](N)C(=O)N1CC(CO)OC(C)(C)C1
InChIInChI=1S/C13H26N2O3/c1-5-9(2)11(14)12(17)15-6-10(7-16)18-13(3,4)8-15/h9-11,16H,5-8,14H2,1-4H3/t9?,10?,11-/m0/s1
InChIKeyDSMIUMVRMNAJLF-ILDUYXDCSA-N
MW258.36 g/mol
LogP0.36
Rot. Bonds4

About (2S)-2-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-methylpentan-1-one

(2S)-2-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-methylpentan-1-one (PubChem CID 104969811) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is (2S)-2-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-methylpentan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-methylpentan-1-one
PubChem CID104969811
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name(2S)-2-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-methylpentan-1-one
SMILESCCC(C)[C@H](N)C(=O)N1CC(CO)OC(C)(C)C1
InChIInChI=1S/C13H26N2O3/c1-5-9(2)11(14)12(17)15-6-10(7-16)18-13(3,4)8-15/h9-11,16H,5-8,14H2,1-4H3/t9?,10?,11-/m0/s1
InChIKeyDSMIUMVRMNAJLF-ILDUYXDCSA-N
XLogP0.36
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-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

Related Compounds

(2S)-2-amino-3-methyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)pentan-1-one
CID 102743783
(2S,3S)-2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]-3-methylpentan-1-one
CID 81203815
N'-hydroxy-2-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-3-methylbutanimidamide
CID 104969920
(2S)-2-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylethanone
CID 104969794
[1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4-methyl-1-oxopentan-2-yl]urea
CID 114779000
3-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4,4-dimethylpentan-1-one
CID 114776669
1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-2-ethylbutan-1-one
CID 114781639
6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbothioamide
CID 114776562
2-(3-aminophenyl)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one
CID 106591897
4-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]-2-methylbutanoic acid
CID 114777599
1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methoxy-2-phenylethanone
CID 114778645
1-[(6R)-6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]prop-2-en-1-one
CID 166408409

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-methylpentan-1-one?
The IUPAC name of (2S)-2-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-methylpentan-1-one (CID 104969811) is (2S)-2-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-methylpentan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-methylpentan-1-one?
The canonical SMILES for (2S)-2-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-methylpentan-1-one is CCC(C)[C@H](N)C(=O)N1CC(CO)OC(C)(C)C1.
What is the InChIKey of (2S)-2-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-methylpentan-1-one?
The InChIKey is DSMIUMVRMNAJLF-ILDUYXDCSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-5-9(2)11(14)12(17)15-6-10(7-16)18-13(3,4)8-15/h9-11,16H,5-8,14H2,1-4H3/t9?,10?,11-/m0/s1.
What are the key properties of (2S)-2-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-methylpentan-1-one?
(2S)-2-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-methylpentan-1-one has a molecular weight of 258.36 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-methylpentan-1-one is sourced from PubChem (CID 104969811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).