2-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]sulfanylacetic acid

C10H14N2O5S — CID 113427800

IUPAC2-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]sulfanylacetic acid
SMILESCN1C(=O)CCC(NC(=O)CSCC(=O)O)C1=O
InChIInChI=1S/C10H14N2O5S/c1-12-8(14)3-2-6(10(12)17)11-7(13)4-18-5-9(15)16/h6H,2-5H2,1H3,(H,11,13)(H,15,16)
InChIKeyNHHDKMGLZDJQMO-UHFFFAOYSA-N
MW274.30 g/mol
LogP-0.93
Rot. Bonds5

About 2-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]sulfanylacetic acid

2-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]sulfanylacetic acid (PubChem CID 113427800) has the molecular formula C10H14N2O5S and a molecular weight of 274.30 g/mol. Its IUPAC name is 2-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]sulfanylacetic acid
PubChem CID113427800
Molecular FormulaC10H14N2O5S
Molecular Weight274.30 g/mol
Exact Mass274.06
IUPAC Name2-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]sulfanylacetic acid
SMILESCN1C(=O)CCC(NC(=O)CSCC(=O)O)C1=O
InChIInChI=1S/C10H14N2O5S/c1-12-8(14)3-2-6(10(12)17)11-7(13)4-18-5-9(15)16/h6H,2-5H2,1H3,(H,11,13)(H,15,16)
InChIKeyNHHDKMGLZDJQMO-UHFFFAOYSA-N
XLogP-0.93
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1-methyl-2,6-dioxopiperidin-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 79261283
2,2-difluoro-N-(1-methyl-2,6-dioxopiperidin-3-yl)acetamide
CID 103515786
1-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79321740
1-tert-butyl-3-(1-methyl-2,6-dioxopiperidin-3-yl)urea
CID 116656521
3-hydroxy-4-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]butanoic acid
CID 103255545
N-(1-methyl-2,6-dioxopiperidin-3-yl)-2-morpholin-2-ylacetamide
CID 66429400
2-methyl-4-[(1-methyl-2,6-dioxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 80540995
3-methoxy-2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]propanoic acid
CID 103255508
2-[2-[2-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 166506395
2-[2-[[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]amino]-2-oxoethyl]sulfanylacetic acid
CID 120551878
2-[4-(aminomethyl)triazol-1-yl]-N-(1-methyl-2,6-dioxopiperidin-3-yl)acetamide
CID 115460043
2,3-dihydroxy-N-(1-methyl-2,6-dioxopiperidin-3-yl)benzamide
CID 114344484

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]sulfanylacetic acid?
The IUPAC name of 2-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]sulfanylacetic acid (CID 113427800) is 2-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]sulfanylacetic acid.
What is the SMILES notation for 2-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]sulfanylacetic acid?
The canonical SMILES for 2-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]sulfanylacetic acid is CN1C(=O)CCC(NC(=O)CSCC(=O)O)C1=O.
What is the InChIKey of 2-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]sulfanylacetic acid?
The InChIKey is NHHDKMGLZDJQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5S/c1-12-8(14)3-2-6(10(12)17)11-7(13)4-18-5-9(15)16/h6H,2-5H2,1H3,(H,11,13)(H,15,16).
What are the key properties of 2-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]sulfanylacetic acid?
2-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]sulfanylacetic acid has a molecular weight of 274.30 g/mol, XLogP of -0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]sulfanylacetic acid is sourced from PubChem (CID 113427800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).