2-(methylamino)acetic acid;2-methyl-2-(methyldisulfanyl)propane

C8H19NO2S2 — CID 145362143

IUPAC2-(methylamino)acetic acid;2-methyl-2-(methyldisulfanyl)propane
SMILESCNCC(=O)O.CSSC(C)(C)C
InChIInChI=1S/C5H12S2.C3H7NO2/c1-5(2,3)7-6-4;1-4-2-3(5)6/h1-4H3;4H,2H2,1H3,(H,5,6)
InChIKeyCZTQJKWKYMGGQO-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.09
Rot. Bonds3

About 2-(methylamino)acetic acid;2-methyl-2-(methyldisulfanyl)propane

2-(methylamino)acetic acid;2-methyl-2-(methyldisulfanyl)propane (PubChem CID 145362143) has the molecular formula C8H19NO2S2 and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-(methylamino)acetic acid;2-methyl-2-(methyldisulfanyl)propane.

Molecular Properties

Compound Name2-(methylamino)acetic acid;2-methyl-2-(methyldisulfanyl)propane
PubChem CID145362143
Molecular FormulaC8H19NO2S2
Molecular Weight225.38 g/mol
Exact Mass225.09
IUPAC Name2-(methylamino)acetic acid;2-methyl-2-(methyldisulfanyl)propane
SMILESCNCC(=O)O.CSSC(C)(C)C
InChIInChI=1S/C5H12S2.C3H7NO2/c1-5(2,3)7-6-4;1-4-2-3(5)6/h1-4H3;4H,2H2,1H3,(H,5,6)
InChIKeyCZTQJKWKYMGGQO-UHFFFAOYSA-N
XLogP2.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)acetic acid;2-methyl-2-(methyldisulfanyl)propane?
The IUPAC name of 2-(methylamino)acetic acid;2-methyl-2-(methyldisulfanyl)propane (CID 145362143) is 2-(methylamino)acetic acid;2-methyl-2-(methyldisulfanyl)propane.
What is the SMILES notation for 2-(methylamino)acetic acid;2-methyl-2-(methyldisulfanyl)propane?
The canonical SMILES for 2-(methylamino)acetic acid;2-methyl-2-(methyldisulfanyl)propane is CNCC(=O)O.CSSC(C)(C)C.
What is the InChIKey of 2-(methylamino)acetic acid;2-methyl-2-(methyldisulfanyl)propane?
The InChIKey is CZTQJKWKYMGGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12S2.C3H7NO2/c1-5(2,3)7-6-4;1-4-2-3(5)6/h1-4H3;4H,2H2,1H3,(H,5,6).
What are the key properties of 2-(methylamino)acetic acid;2-methyl-2-(methyldisulfanyl)propane?
2-(methylamino)acetic acid;2-methyl-2-(methyldisulfanyl)propane has a molecular weight of 225.38 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)acetic acid;2-methyl-2-(methyldisulfanyl)propane is sourced from PubChem (CID 145362143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).