2-methyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]propanoic acid

C9H19NO2S — CID 63966934

IUPAC2-methyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]propanoic acid
SMILESCSCC(C)CNCC(C)C(=O)O
InChIInChI=1S/C9H19NO2S/c1-7(6-13-3)4-10-5-8(2)9(11)12/h7-8,10H,4-6H2,1-3H3,(H,11,12)
InChIKeyGXPPDWWSASJURU-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.30
Rot. Bonds7

About 2-methyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]propanoic acid

2-methyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]propanoic acid (PubChem CID 63966934) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 2-methyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]propanoic acid
PubChem CID63966934
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name2-methyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]propanoic acid
SMILESCSCC(C)CNCC(C)C(=O)O
InChIInChI=1S/C9H19NO2S/c1-7(6-13-3)4-10-5-8(2)9(11)12/h7-8,10H,4-6H2,1-3H3,(H,11,12)
InChIKeyGXPPDWWSASJURU-UHFFFAOYSA-N
XLogP1.30
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]propanoic acid
CID 63957312
3,3,3-trifluoro-2-[[(2-methyl-3-methylsulfanylpropyl)amino]methyl]propanoic acid
CID 103251071
4-[(2-methyl-3-methylsulfanylpropyl)amino]butanoic acid
CID 63966932
(2S)-2-hydroxy-3-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]propanoic acid
CID 107840060
3-(2-carboxyethylamino)-2-methylpropanoic acid
CID 154090510
2-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]pentanoic acid
CID 63957961
2-[methyl-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]amino]propanoic acid
CID 63959874
N-ethyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]propanamide
CID 63967363
2-methyl-3-methylsulfanyl-N-propylpropan-1-amine
CID 63981278
2-methyl-3-(2-methylsulfanylethylcarbamoylamino)propanoic acid
CID 63957265
3-methyl-4-methylsulfanylbutanoic acid
CID 59946362
2-methyl-3-(2-methylsulfanylpropanoylamino)propanoic acid
CID 115731422

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]propanoic acid (CID 63966934) is 2-methyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]propanoic acid is CSCC(C)CNCC(C)C(=O)O.
What is the InChIKey of 2-methyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]propanoic acid?
The InChIKey is GXPPDWWSASJURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-7(6-13-3)4-10-5-8(2)9(11)12/h7-8,10H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 2-methyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]propanoic acid?
2-methyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]propanoic acid has a molecular weight of 205.32 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]propanoic acid is sourced from PubChem (CID 63966934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).