3-(methylamino)-2-methylsulfanylpropanoic acid

C5H11NO2S — CID 89403474

IUPAC3-(methylamino)-2-methylsulfanylpropanoic acid
SMILESCNCC(SC)C(=O)O
InChIInChI=1S/C5H11NO2S/c1-6-3-4(9-2)5(7)8/h4,6H,3H2,1-2H3,(H,7,8)
InChIKeyZKPKTXZQXRFNGZ-UHFFFAOYSA-N
MW149.22 g/mol
LogP0.02
Rot. Bonds4

About 3-(methylamino)-2-methylsulfanylpropanoic acid

3-(methylamino)-2-methylsulfanylpropanoic acid (PubChem CID 89403474) has the molecular formula C5H11NO2S and a molecular weight of 149.22 g/mol. Its IUPAC name is 3-(methylamino)-2-methylsulfanylpropanoic acid.

Molecular Properties

Compound Name3-(methylamino)-2-methylsulfanylpropanoic acid
PubChem CID89403474
Molecular FormulaC5H11NO2S
Molecular Weight149.22 g/mol
Exact Mass149.05
IUPAC Name3-(methylamino)-2-methylsulfanylpropanoic acid
SMILESCNCC(SC)C(=O)O
InChIInChI=1S/C5H11NO2S/c1-6-3-4(9-2)5(7)8/h4,6H,3H2,1-2H3,(H,7,8)
InChIKeyZKPKTXZQXRFNGZ-UHFFFAOYSA-N
XLogP0.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Methylsulfanyl)azetidine-3-carboxylic acid hydrochloride
CID 155978165
Thiomorpholine-2-carboxylic acid
CID 9548760
1,3-Thiazolidine-5-carboxylic acid
CID 14344103
3-(2-Mercaptoethyl)aminopropionic acid
CID 22450833
3,3,3-Trifluoro-2-[(2-methylsulfanylethylamino)methyl]propanoic acid
CID 103251016
2-Methyl-3-[2-(trifluoromethylsulfanyl)ethylamino]propanoic acid
CID 106429032
3-[2-(Trifluoromethylsulfanyl)ethylamino]propanoic acid
CID 116616733
2,2-Difluoro-3-{[2-(methylsulfanyl)propyl]amino}propanoic acid
CID 165462067
2,2-Difluoro-3-{[2-(propan-2-ylsulfanyl)ethyl]amino}propanoic acid
CID 165465861
3-{[2-(Ethylsulfanyl)ethyl]amino}-2,2-difluoropropanoic acid
CID 165745233
2,2-Difluoro-3-{[3-(methylsulfanyl)propyl]amino}propanoic acid
CID 165789027
2,2-Difluoro-3-{[2-(methylsulfanyl)ethyl]amino}propanoic acid
CID 165790599

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-2-methylsulfanylpropanoic acid?
The IUPAC name of 3-(methylamino)-2-methylsulfanylpropanoic acid (CID 89403474) is 3-(methylamino)-2-methylsulfanylpropanoic acid.
What is the SMILES notation for 3-(methylamino)-2-methylsulfanylpropanoic acid?
The canonical SMILES for 3-(methylamino)-2-methylsulfanylpropanoic acid is CNCC(SC)C(=O)O.
What is the InChIKey of 3-(methylamino)-2-methylsulfanylpropanoic acid?
The InChIKey is ZKPKTXZQXRFNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-6-3-4(9-2)5(7)8/h4,6H,3H2,1-2H3,(H,7,8).
What are the key properties of 3-(methylamino)-2-methylsulfanylpropanoic acid?
3-(methylamino)-2-methylsulfanylpropanoic acid has a molecular weight of 149.22 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-2-methylsulfanylpropanoic acid is sourced from PubChem (CID 89403474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).