(3-methoxy-3-methylbutyl) (2R)-2-amino-4-methylsulfanylbutanoate

C11H23NO3S — CID 106666200

IUPAC(3-methoxy-3-methylbutyl) (2R)-2-amino-4-methylsulfanylbutanoate
SMILESCOC(C)(C)CCOC(=O)[C@H](N)CCSC
InChIInChI=1S/C11H23NO3S/c1-11(2,14-3)6-7-15-10(13)9(12)5-8-16-4/h9H,5-8,12H2,1-4H3/t9-/m1/s1
InChIKeyLVJUVAAIRGYEEF-SECBINFHSA-N
MW249.38 g/mol
LogP1.43
Rot. Bonds8

About (3-methoxy-3-methylbutyl) (2R)-2-amino-4-methylsulfanylbutanoate

(3-methoxy-3-methylbutyl) (2R)-2-amino-4-methylsulfanylbutanoate (PubChem CID 106666200) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is (3-methoxy-3-methylbutyl) (2R)-2-amino-4-methylsulfanylbutanoate.

Molecular Properties

Compound Name(3-methoxy-3-methylbutyl) (2R)-2-amino-4-methylsulfanylbutanoate
PubChem CID106666200
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name(3-methoxy-3-methylbutyl) (2R)-2-amino-4-methylsulfanylbutanoate
SMILESCOC(C)(C)CCOC(=O)[C@H](N)CCSC
InChIInChI=1S/C11H23NO3S/c1-11(2,14-3)6-7-15-10(13)9(12)5-8-16-4/h9H,5-8,12H2,1-4H3/t9-/m1/s1
InChIKeyLVJUVAAIRGYEEF-SECBINFHSA-N
XLogP1.43
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3-methoxy-3-methylbutyl) (2R)-2-amino-4-methylsulfanylbutanoate 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

2-[(2-methylpropan-2-yl)oxy]ethyl (2R)-2-amino-4-methylsulfanylbutanoate
CID 104909740
2-[2-[(2S)-2-amino-4-methylsulfanylbutanoyl]oxyethoxy]ethyl (2S)-2-amino-4-methylsulfanylbutanoate
CID 87587712
2-[2-(2-methoxyethoxy)ethoxy]ethyl (2S)-2-amino-4-methylsulfanylbutanoate
CID 87305409
(2-amino-4-methylsulfanylbutanoyl)oxymethyl 2-amino-4-methylsulfanylbutanoate
CID 158198459
butyl (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride
CID 139951109
4-methylpentyl (2S)-2-amino-4-methylsulfanylbutanoate
CID 61302105
methyl 2-amino-4-methylsulfanylbutanoate chloride
CID 170923229
ethyl 2-amino-4-(3-methoxy-3-methylbutoxy)butanoate
CID 106666825
methyl (2S)-2-amino-4-methylsulfanylbutanoate;platinum(2+);dichloride
CID 138397899
tetradecyl (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride
CID 139632808
(3-methoxy-3-methylbutyl) 4-amino-2-methylbutanoate
CID 106666034
2-(diethylamino)ethyl (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride
CID 175942177

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-3-methylbutyl) (2R)-2-amino-4-methylsulfanylbutanoate?
The IUPAC name of (3-methoxy-3-methylbutyl) (2R)-2-amino-4-methylsulfanylbutanoate (CID 106666200) is (3-methoxy-3-methylbutyl) (2R)-2-amino-4-methylsulfanylbutanoate.
What is the SMILES notation for (3-methoxy-3-methylbutyl) (2R)-2-amino-4-methylsulfanylbutanoate?
The canonical SMILES for (3-methoxy-3-methylbutyl) (2R)-2-amino-4-methylsulfanylbutanoate is COC(C)(C)CCOC(=O)[C@H](N)CCSC.
What is the InChIKey of (3-methoxy-3-methylbutyl) (2R)-2-amino-4-methylsulfanylbutanoate?
The InChIKey is LVJUVAAIRGYEEF-SECBINFHSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-11(2,14-3)6-7-15-10(13)9(12)5-8-16-4/h9H,5-8,12H2,1-4H3/t9-/m1/s1.
What are the key properties of (3-methoxy-3-methylbutyl) (2R)-2-amino-4-methylsulfanylbutanoate?
(3-methoxy-3-methylbutyl) (2R)-2-amino-4-methylsulfanylbutanoate has a molecular weight of 249.38 g/mol, XLogP of 1.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-3-methylbutyl) (2R)-2-amino-4-methylsulfanylbutanoate is sourced from PubChem (CID 106666200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).