3-methoxy-2-[methyl(1-methylsulfanylbutan-2-yl)amino]propanoic acid

C10H21NO3S — CID 103224864

IUPAC3-methoxy-2-[methyl(1-methylsulfanylbutan-2-yl)amino]propanoic acid
SMILESCCC(CSC)N(C)C(COC)C(=O)O
InChIInChI=1S/C10H21NO3S/c1-5-8(7-15-4)11(2)9(6-14-3)10(12)13/h8-9H,5-7H2,1-4H3,(H,12,13)
InChIKeyVZOQKASESYNUAB-UHFFFAOYSA-N
MW235.35 g/mol
LogP1.16
Rot. Bonds8

About 3-methoxy-2-[methyl(1-methylsulfanylbutan-2-yl)amino]propanoic acid

3-methoxy-2-[methyl(1-methylsulfanylbutan-2-yl)amino]propanoic acid (PubChem CID 103224864) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 3-methoxy-2-[methyl(1-methylsulfanylbutan-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-[methyl(1-methylsulfanylbutan-2-yl)amino]propanoic acid
PubChem CID103224864
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name3-methoxy-2-[methyl(1-methylsulfanylbutan-2-yl)amino]propanoic acid
SMILESCCC(CSC)N(C)C(COC)C(=O)O
InChIInChI=1S/C10H21NO3S/c1-5-8(7-15-4)11(2)9(6-14-3)10(12)13/h8-9H,5-7H2,1-4H3,(H,12,13)
InChIKeyVZOQKASESYNUAB-UHFFFAOYSA-N
XLogP1.16
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methoxy-2-thiomorpholin-4-ylpropanoic acid
CID 21873279
4-Methylsulfanyl-2-morpholin-4-ylbutanoic acid
CID 60810849
(2R)-2-[bis(2-ethoxy-2-oxoethyl)amino]-3-(2-ethoxy-2-oxoethyl)sulfanylpropanoic acid
CID 140075378
(2R)-2-[ethyl(propyl)amino]-3-methoxypropanoic acid
CID 144075880
2-[Methyl(2-methylpropyl)amino]-3-(2-sulfanylethoxy)propanoic acid
CID 156032861
3-(3-Methylbutoxy)-2-[methyl(2-sulfanylpropyl)amino]propanoic acid
CID 166733397
3-(3-methylbutoxy)-2-[methyl-[(2S)-2-sulfanylpropyl]amino]propanoic acid
CID 169952420
2-[Methyl(2-methylpropyl)amino]-3-(2-methylsulfanylethoxy)propanoic acid
CID 172297260
methyl (2S)-3-hydroxy-2-thiomorpholin-4-ylpropanoate
CID 175185954
Methyl 3-hydroxy-2-thiomorpholin-4-ylpropanoate
CID 175185956
methyl (2R)-3-hydroxy-2-thiomorpholin-4-ylpropanoate
CID 175192219
2-[Methyl(3-methylsulfanylpropyl)amino]propanoic acid
CID 65059991

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[methyl(1-methylsulfanylbutan-2-yl)amino]propanoic acid?
The IUPAC name of 3-methoxy-2-[methyl(1-methylsulfanylbutan-2-yl)amino]propanoic acid (CID 103224864) is 3-methoxy-2-[methyl(1-methylsulfanylbutan-2-yl)amino]propanoic acid.
What is the SMILES notation for 3-methoxy-2-[methyl(1-methylsulfanylbutan-2-yl)amino]propanoic acid?
The canonical SMILES for 3-methoxy-2-[methyl(1-methylsulfanylbutan-2-yl)amino]propanoic acid is CCC(CSC)N(C)C(COC)C(=O)O.
What is the InChIKey of 3-methoxy-2-[methyl(1-methylsulfanylbutan-2-yl)amino]propanoic acid?
The InChIKey is VZOQKASESYNUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-5-8(7-15-4)11(2)9(6-14-3)10(12)13/h8-9H,5-7H2,1-4H3,(H,12,13).
What are the key properties of 3-methoxy-2-[methyl(1-methylsulfanylbutan-2-yl)amino]propanoic acid?
3-methoxy-2-[methyl(1-methylsulfanylbutan-2-yl)amino]propanoic acid has a molecular weight of 235.35 g/mol, XLogP of 1.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[methyl(1-methylsulfanylbutan-2-yl)amino]propanoic acid is sourced from PubChem (CID 103224864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).