2-[(2-amino-2-oxoethyl)-[2-(1,1-dioxothiolan-3-yl)sulfanylacetyl]amino]acetic acid

C10H16N2O6S2 — CID 107434308

IUPAC2-[(2-amino-2-oxoethyl)-[2-(1,1-dioxothiolan-3-yl)sulfanylacetyl]amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)C(=O)CSC1CCS(=O)(=O)C1
InChIInChI=1S/C10H16N2O6S2/c11-8(13)3-12(4-10(15)16)9(14)5-19-7-1-2-20(17,18)6-7/h7H,1-6H2,(H2,11,13)(H,15,16)
InChIKeyDVXQDBDSSAVMPG-UHFFFAOYSA-N
MW324.38 g/mol
LogP-1.69
Rot. Bonds7

About 2-[(2-amino-2-oxoethyl)-[2-(1,1-dioxothiolan-3-yl)sulfanylacetyl]amino]acetic acid

2-[(2-amino-2-oxoethyl)-[2-(1,1-dioxothiolan-3-yl)sulfanylacetyl]amino]acetic acid (PubChem CID 107434308) has the molecular formula C10H16N2O6S2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[2-(1,1-dioxothiolan-3-yl)sulfanylacetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[2-(1,1-dioxothiolan-3-yl)sulfanylacetyl]amino]acetic acid
PubChem CID107434308
Molecular FormulaC10H16N2O6S2
Molecular Weight324.38 g/mol
Exact Mass324.04
IUPAC Name2-[(2-amino-2-oxoethyl)-[2-(1,1-dioxothiolan-3-yl)sulfanylacetyl]amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)C(=O)CSC1CCS(=O)(=O)C1
InChIInChI=1S/C10H16N2O6S2/c11-8(13)3-12(4-10(15)16)9(14)5-19-7-1-2-20(17,18)6-7/h7H,1-6H2,(H2,11,13)(H,15,16)
InChIKeyDVXQDBDSSAVMPG-UHFFFAOYSA-N
XLogP-1.69
TPSA134.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 5-1.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(2-amino-2-oxoethyl)-[2-(1,1-dioxothiolan-3-yl)sulfanylacetyl]amino]acetic acid with MolForge

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Related Compounds

ethyl 2-(1,1-dioxothiolan-3-yl)sulfanylacetate
CID 78912204
2-(1,1-dioxothiolan-3-yl)sulfanylacetate
CID 3094616
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide
CID 113476121
2-[(2-amino-2-oxoethyl)-(2-cyclobutylacetyl)amino]acetic acid
CID 107434388
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-methylacetamide
CID 47116316
methyl 4-[[2-(1,1-dioxothiolan-3-yl)sulfanylacetyl]-methylamino]butanoate
CID 60714276
2-(1,1-dioxothiolan-3-yl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 60667109
N-cyclopropyl-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[(2R,3S)-3-methylpentan-2-yl]acetamide
CID 124735827
N-(2,6-dimethylphenyl)-2-[[2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetyl]-methylamino]acetamide
CID 9426123
1-(azocan-1-yl)-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylethanone
CID 95572289
N-(4-tert-butylphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanyl-N-methylacetamide
CID 52530451
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 63930411

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[2-(1,1-dioxothiolan-3-yl)sulfanylacetyl]amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[2-(1,1-dioxothiolan-3-yl)sulfanylacetyl]amino]acetic acid (CID 107434308) is 2-[(2-amino-2-oxoethyl)-[2-(1,1-dioxothiolan-3-yl)sulfanylacetyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[2-(1,1-dioxothiolan-3-yl)sulfanylacetyl]amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[2-(1,1-dioxothiolan-3-yl)sulfanylacetyl]amino]acetic acid is NC(=O)CN(CC(=O)O)C(=O)CSC1CCS(=O)(=O)C1.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[2-(1,1-dioxothiolan-3-yl)sulfanylacetyl]amino]acetic acid?
The InChIKey is DVXQDBDSSAVMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O6S2/c11-8(13)3-12(4-10(15)16)9(14)5-19-7-1-2-20(17,18)6-7/h7H,1-6H2,(H2,11,13)(H,15,16).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[2-(1,1-dioxothiolan-3-yl)sulfanylacetyl]amino]acetic acid?
2-[(2-amino-2-oxoethyl)-[2-(1,1-dioxothiolan-3-yl)sulfanylacetyl]amino]acetic acid has a molecular weight of 324.38 g/mol, XLogP of -1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-[2-(1,1-dioxothiolan-3-yl)sulfanylacetyl]amino]acetic acid is sourced from PubChem (CID 107434308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).