methyl 2-aminoacetate;methyl carbamodithioate

C5H12N2O2S2 — CID 175268095

IUPACmethyl 2-aminoacetate;methyl carbamodithioate
SMILESCOC(=O)CN.CSC(N)=S
InChIInChI=1S/C3H7NO2.C2H5NS2/c1-6-3(5)2-4;1-5-2(3)4/h2,4H2,1H3;1H3,(H2,3,4)
InChIKeyKEAAAZPMHHJCFJ-UHFFFAOYSA-N
MW196.30 g/mol
LogP-0.29
Rot. Bonds1

About methyl 2-aminoacetate;methyl carbamodithioate

methyl 2-aminoacetate;methyl carbamodithioate (PubChem CID 175268095) has the molecular formula C5H12N2O2S2 and a molecular weight of 196.30 g/mol. Its IUPAC name is methyl 2-aminoacetate;methyl carbamodithioate.

Molecular Properties

Compound Namemethyl 2-aminoacetate;methyl carbamodithioate
PubChem CID175268095
Molecular FormulaC5H12N2O2S2
Molecular Weight196.30 g/mol
Exact Mass196.03
IUPAC Namemethyl 2-aminoacetate;methyl carbamodithioate
SMILESCOC(=O)CN.CSC(N)=S
InChIInChI=1S/C3H7NO2.C2H5NS2/c1-6-3(5)2-4;1-5-2(3)4/h2,4H2,1H3;1H3,(H2,3,4)
InChIKeyKEAAAZPMHHJCFJ-UHFFFAOYSA-N
XLogP-0.29
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

potassium;hydride;methyl 2-aminoacetate
CID 175381316
ethane-1,2-diol;methyl 2-aminoacetate
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CID 158378476
(2-methoxy-2-oxoethyl) 2-aminoacetate
CID 87368434
methyl carbamodithioate;silver
CID 174849393
(2S)-2-aminopropanoic acid;methyl 2-aminoacetate;hydrochloride
CID 175513971
methyl 2-[[2-[(2-amino-2-sulfanylideneethyl)amino]-2-oxoacetyl]amino]acetate
CID 43316324
O-methyl 2-aminoethanethioate
CID 140974503
dimethoxyphosphoryl 2-aminoacetate
CID 150492348
methyl 5-amino-4-oxopentanoate chloride
CID 53313200
methyl 4-(2-amino-2-sulfanylideneethyl)sulfanylbutanoate
CID 82182340
methyl 2-aminoacetate;propane-1,2-diimine
CID 145275469

Frequently Asked Questions

What is the IUPAC name of methyl 2-aminoacetate;methyl carbamodithioate?
The IUPAC name of methyl 2-aminoacetate;methyl carbamodithioate (CID 175268095) is methyl 2-aminoacetate;methyl carbamodithioate.
What is the SMILES notation for methyl 2-aminoacetate;methyl carbamodithioate?
The canonical SMILES for methyl 2-aminoacetate;methyl carbamodithioate is COC(=O)CN.CSC(N)=S.
What is the InChIKey of methyl 2-aminoacetate;methyl carbamodithioate?
The InChIKey is KEAAAZPMHHJCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO2.C2H5NS2/c1-6-3(5)2-4;1-5-2(3)4/h2,4H2,1H3;1H3,(H2,3,4).
What are the key properties of methyl 2-aminoacetate;methyl carbamodithioate?
methyl 2-aminoacetate;methyl carbamodithioate has a molecular weight of 196.30 g/mol, XLogP of -0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-aminoacetate;methyl carbamodithioate is sourced from PubChem (CID 175268095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).