methyl 2-amino-2-methyl-3-(3-methylbutan-2-ylsulfanyl)propanoate

C10H21NO2S — CID 107755651

IUPACmethyl 2-amino-2-methyl-3-(3-methylbutan-2-ylsulfanyl)propanoate
SMILESCOC(=O)C(C)(N)CSC(C)C(C)C
InChIInChI=1S/C10H21NO2S/c1-7(2)8(3)14-6-10(4,11)9(12)13-5/h7-8H,6,11H2,1-5H3
InChIKeyUIVGCYYAHCYXCH-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.65
Rot. Bonds5

About methyl 2-amino-2-methyl-3-(3-methylbutan-2-ylsulfanyl)propanoate

methyl 2-amino-2-methyl-3-(3-methylbutan-2-ylsulfanyl)propanoate (PubChem CID 107755651) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is methyl 2-amino-2-methyl-3-(3-methylbutan-2-ylsulfanyl)propanoate.

Molecular Properties

Compound Namemethyl 2-amino-2-methyl-3-(3-methylbutan-2-ylsulfanyl)propanoate
PubChem CID107755651
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Namemethyl 2-amino-2-methyl-3-(3-methylbutan-2-ylsulfanyl)propanoate
SMILESCOC(=O)C(C)(N)CSC(C)C(C)C
InChIInChI=1S/C10H21NO2S/c1-7(2)8(3)14-6-10(4,11)9(12)13-5/h7-8H,6,11H2,1-5H3
InChIKeyUIVGCYYAHCYXCH-UHFFFAOYSA-N
XLogP1.65
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-methyl-3-(3-methylbutan-2-ylsulfanyl)propanoic acid
CID 107755772
methyl 2-methyl-3-(3-methylbutan-2-ylsulfanyl)-2-(propan-2-ylamino)propanoate
CID 107755800
methyl (2R)-2-amino-2-methyl-3-methylsulfanylpropanoate
CID 45086744
2-amino-2-methyl-3-(3-methylbutan-2-ylsulfanyl)propan-1-ol
CID 107764725
methyl (2R)-2-amino-3-methoxy-2-methylpropanoate
CID 45086680
methyl (2R)-2-amino-2-methylhexanoate
CID 155453684
methyl 3-(3-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(methylamino)propanoate
CID 107771732
2-(ethylamino)-2-methyl-3-(3-methylbutan-2-ylsulfanyl)propanamide
CID 107755689
2-amino-2-methyl-4-(3-methylbutan-2-ylsulfanyl)butanoic acid
CID 107755874
methyl 2-methyl-5-(3-methylbutan-2-ylsulfanyl)-2-(propan-2-ylamino)pentanoate
CID 107755859
methyl 2-methyl-2-(methylamino)-6-(3-methylbutan-2-ylsulfanyl)hexanoate
CID 107755841
methyl 2-amino-2-methyl-4-(3-methylbutylsulfanyl)butanoate
CID 107756142

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-methyl-3-(3-methylbutan-2-ylsulfanyl)propanoate?
The IUPAC name of methyl 2-amino-2-methyl-3-(3-methylbutan-2-ylsulfanyl)propanoate (CID 107755651) is methyl 2-amino-2-methyl-3-(3-methylbutan-2-ylsulfanyl)propanoate.
What is the SMILES notation for methyl 2-amino-2-methyl-3-(3-methylbutan-2-ylsulfanyl)propanoate?
The canonical SMILES for methyl 2-amino-2-methyl-3-(3-methylbutan-2-ylsulfanyl)propanoate is COC(=O)C(C)(N)CSC(C)C(C)C.
What is the InChIKey of methyl 2-amino-2-methyl-3-(3-methylbutan-2-ylsulfanyl)propanoate?
The InChIKey is UIVGCYYAHCYXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-7(2)8(3)14-6-10(4,11)9(12)13-5/h7-8H,6,11H2,1-5H3.
What are the key properties of methyl 2-amino-2-methyl-3-(3-methylbutan-2-ylsulfanyl)propanoate?
methyl 2-amino-2-methyl-3-(3-methylbutan-2-ylsulfanyl)propanoate has a molecular weight of 219.35 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-methyl-3-(3-methylbutan-2-ylsulfanyl)propanoate is sourced from PubChem (CID 107755651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).