2-[methyl(methylcarbamothioyl)amino]acetic acid

C5H10N2O2S — CID 14685968

IUPAC2-[methyl(methylcarbamothioyl)amino]acetic acid
SMILESCNC(=S)N(C)CC(=O)O
InChIInChI=1S/C5H10N2O2S/c1-6-5(10)7(2)3-4(8)9/h3H2,1-2H3,(H,6,10)(H,8,9)
InChIKeyXQBBMZQKJRNJNV-UHFFFAOYSA-N
MW162.21 g/mol
LogP-0.49
Rot. Bonds2

About 2-[methyl(methylcarbamothioyl)amino]acetic acid

2-[methyl(methylcarbamothioyl)amino]acetic acid (PubChem CID 14685968) has the molecular formula C5H10N2O2S and a molecular weight of 162.21 g/mol. Its IUPAC name is 2-[methyl(methylcarbamothioyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl(methylcarbamothioyl)amino]acetic acid
PubChem CID14685968
Molecular FormulaC5H10N2O2S
Molecular Weight162.21 g/mol
Exact Mass162.05
IUPAC Name2-[methyl(methylcarbamothioyl)amino]acetic acid
SMILESCNC(=S)N(C)CC(=O)O
InChIInChI=1S/C5H10N2O2S/c1-6-5(10)7(2)3-4(8)9/h3H2,1-2H3,(H,6,10)(H,8,9)
InChIKeyXQBBMZQKJRNJNV-UHFFFAOYSA-N
XLogP-0.49
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,3,3-trifluoro-2-[[methyl(methylcarbamothioyl)amino]methyl]propanoic acid
CID 23326898
2-[dimethylcarbamoyl(methyl)amino]acetic acid
CID 43135260
2-[carboxymethyl(methyl)amino]-2-oxoacetic acid
CID 14985601
2-[methyl-[2-(methylamino)propanoyl]amino]acetic acid
CID 62638787
2-[methyl(methylcarbamothioyl)amino]propanedioic acid
CID 22481441
ethane;2-[methyl(propanoyl)amino]acetic acid
CID 170570723
2-[bis(methylamino)amino]acetic acid;hydrochloride
CID 158852390
2-[methyl-[1-(methylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 43442200
azane;2-(dimethylamino)acetic acid
CID 172828475
2-[bis(carboxymethyl)amino]acetic acid;N,N-dimethylmethanamine
CID 88838366
2-[(2-aminoacetyl)-methylamino]acetic acid;hydrochloride
CID 87629075
2-[[2-[acetyl(methyl)amino]acetyl]-methylamino]acetic acid
CID 43356271

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(methylcarbamothioyl)amino]acetic acid?
The IUPAC name of 2-[methyl(methylcarbamothioyl)amino]acetic acid (CID 14685968) is 2-[methyl(methylcarbamothioyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl(methylcarbamothioyl)amino]acetic acid?
The canonical SMILES for 2-[methyl(methylcarbamothioyl)amino]acetic acid is CNC(=S)N(C)CC(=O)O.
What is the InChIKey of 2-[methyl(methylcarbamothioyl)amino]acetic acid?
The InChIKey is XQBBMZQKJRNJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2S/c1-6-5(10)7(2)3-4(8)9/h3H2,1-2H3,(H,6,10)(H,8,9).
What are the key properties of 2-[methyl(methylcarbamothioyl)amino]acetic acid?
2-[methyl(methylcarbamothioyl)amino]acetic acid has a molecular weight of 162.21 g/mol, XLogP of -0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(methylcarbamothioyl)amino]acetic acid is sourced from PubChem (CID 14685968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).