(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-4-methylpentan-1-one;hydrochloride

C12H25ClN2O2 — CID 119732395

IUPAC(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-4-methylpentan-1-one;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)N1CCOC(C)(C)C1.Cl
InChIInChI=1S/C12H24N2O2.ClH/c1-9(2)7-10(13)11(15)14-5-6-16-12(3,4)8-14;/h9-10H,5-8,13H2,1-4H3;1H/t10-;/m0./s1
InChIKeyKITODKFSWCSRFJ-PPHPATTJSA-N
MW264.80 g/mol
LogP1.42
Rot. Bonds3

About (2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-4-methylpentan-1-one;hydrochloride

(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-4-methylpentan-1-one;hydrochloride (PubChem CID 119732395) has the molecular formula C12H25ClN2O2 and a molecular weight of 264.80 g/mol. Its IUPAC name is (2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-4-methylpentan-1-one;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-4-methylpentan-1-one;hydrochloride
PubChem CID119732395
Molecular FormulaC12H25ClN2O2
Molecular Weight264.80 g/mol
Exact Mass264.16
IUPAC Name(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-4-methylpentan-1-one;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)N1CCOC(C)(C)C1.Cl
InChIInChI=1S/C12H24N2O2.ClH/c1-9(2)7-10(13)11(15)14-5-6-16-12(3,4)8-14;/h9-10H,5-8,13H2,1-4H3;1H/t10-;/m0./s1
InChIKeyKITODKFSWCSRFJ-PPHPATTJSA-N
XLogP1.42
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-4-methylpentan-1-one;hydrochloride 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-(2,2-dimethylmorpholin-4-yl)-4-methylsulfanylbutan-1-one;hydrochloride
CID 119294273
(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3-methylbutan-1-one
CID 61156475
(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3-phenylpropan-1-one;hydrochloride
CID 119294272
2-bromo-1-(2,2-dimethylmorpholin-4-yl)propan-1-one
CID 107903459
(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3,3-dimethylbutan-1-one
CID 61153898
5-amino-1-(2,2-dimethylmorpholin-4-yl)-2-methylpentan-1-one
CID 104683727
(2S)-2-amino-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-4-methylpentanamide
CID 119868946
(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-4-phenylbutan-1-one
CID 104983964
1-(2-amino-4-methylpentanoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63144084
(2S)-2-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-4-methylpentan-1-one;hydrochloride
CID 119789098
(2S)-2-amino-3-(3,4-dihydroxyphenyl)-1-(2,2-dimethylmorpholin-4-yl)propan-1-one
CID 61156306
(2S)-2-amino-1-(2-azaspiro[5.5]undecan-2-yl)-4-methylpentan-1-one;hydrochloride
CID 119784790

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-4-methylpentan-1-one;hydrochloride?
The IUPAC name of (2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-4-methylpentan-1-one;hydrochloride (CID 119732395) is (2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-4-methylpentan-1-one;hydrochloride.
What is the SMILES notation for (2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-4-methylpentan-1-one;hydrochloride?
The canonical SMILES for (2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-4-methylpentan-1-one;hydrochloride is CC(C)C[C@H](N)C(=O)N1CCOC(C)(C)C1.Cl.
What is the InChIKey of (2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-4-methylpentan-1-one;hydrochloride?
The InChIKey is KITODKFSWCSRFJ-PPHPATTJSA-N. The full InChI is InChI=1S/C12H24N2O2.ClH/c1-9(2)7-10(13)11(15)14-5-6-16-12(3,4)8-14;/h9-10H,5-8,13H2,1-4H3;1H/t10-;/m0./s1.
What are the key properties of (2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-4-methylpentan-1-one;hydrochloride?
(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-4-methylpentan-1-one;hydrochloride has a molecular weight of 264.80 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-4-methylpentan-1-one;hydrochloride is sourced from PubChem (CID 119732395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).