2-aminoacetic acid;2-(ethanethioylamino)acetic acid

C6H12N2O4S — CID 174585763

IUPAC2-aminoacetic acid;2-(ethanethioylamino)acetic acid
SMILESCC(=S)NCC(=O)O.NCC(=O)O
InChIInChI=1S/C4H7NO2S.C2H5NO2/c1-3(8)5-2-4(6)7;3-1-2(4)5/h2H2,1H3,(H,5,8)(H,6,7);1,3H2,(H,4,5)
InChIKeyZWWWJMLEWDWKTC-UHFFFAOYSA-N
MW208.24 g/mol
LogP-0.96
Rot. Bonds3

About 2-aminoacetic acid;2-(ethanethioylamino)acetic acid

2-aminoacetic acid;2-(ethanethioylamino)acetic acid (PubChem CID 174585763) has the molecular formula C6H12N2O4S and a molecular weight of 208.24 g/mol. Its IUPAC name is 2-aminoacetic acid;2-(ethanethioylamino)acetic acid.

Molecular Properties

Compound Name2-aminoacetic acid;2-(ethanethioylamino)acetic acid
PubChem CID174585763
Molecular FormulaC6H12N2O4S
Molecular Weight208.24 g/mol
Exact Mass208.05
IUPAC Name2-aminoacetic acid;2-(ethanethioylamino)acetic acid
SMILESCC(=S)NCC(=O)O.NCC(=O)O
InChIInChI=1S/C4H7NO2S.C2H5NO2/c1-3(8)5-2-4(6)7;3-1-2(4)5/h2H2,1H3,(H,5,8)(H,6,7);1,3H2,(H,4,5)
InChIKeyZWWWJMLEWDWKTC-UHFFFAOYSA-N
XLogP-0.96
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 5-0.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(carboxymethylcarbamothioylamino)acetic acid
CID 22218994
2-[(2-aminoacetyl)amino]acetic acid;iron
CID 88519738
acetic acid;2-aminoacetic acid;azane
CID 175048501
bis(2-aminoacetic acid);2-[(2-sulfanylacetyl)amino]acetic acid
CID 22493014
acetamide;2-acetamidoacetic acid;acetic acid
CID 172851562
2-aminoacetic acid;2-[(2,2,2-trifluoroacetyl)amino]acetic acid
CID 160881248
ethane;2-(2-oxopropanoylamino)acetic acid
CID 143031622
bis(2-acetamidoacetic acid);copper;trihydrate
CID 57404078
2-aminoacetic acid;ethanamine
CID 162171079
2-aminoacetic acid;cadmium
CID 87269769
bis(2-aminoacetic acid);copper
CID 50912486
(2-aminoacetic acid);carbonic acid
CID 173312624

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;2-(ethanethioylamino)acetic acid?
The IUPAC name of 2-aminoacetic acid;2-(ethanethioylamino)acetic acid (CID 174585763) is 2-aminoacetic acid;2-(ethanethioylamino)acetic acid.
What is the SMILES notation for 2-aminoacetic acid;2-(ethanethioylamino)acetic acid?
The canonical SMILES for 2-aminoacetic acid;2-(ethanethioylamino)acetic acid is CC(=S)NCC(=O)O.NCC(=O)O.
What is the InChIKey of 2-aminoacetic acid;2-(ethanethioylamino)acetic acid?
The InChIKey is ZWWWJMLEWDWKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2S.C2H5NO2/c1-3(8)5-2-4(6)7;3-1-2(4)5/h2H2,1H3,(H,5,8)(H,6,7);1,3H2,(H,4,5).
What are the key properties of 2-aminoacetic acid;2-(ethanethioylamino)acetic acid?
2-aminoacetic acid;2-(ethanethioylamino)acetic acid has a molecular weight of 208.24 g/mol, XLogP of -0.96, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;2-(ethanethioylamino)acetic acid is sourced from PubChem (CID 174585763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).