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

C11H20N2O5S — CID 60838279

IUPAC2-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)CC(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C11H20N2O5S/c1-8(2)13(6-11(15)16)5-10(14)12-9-3-4-19(17,18)7-9/h8-9H,3-7H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyMEQCEWIIOITVGS-UHFFFAOYSA-N
MW292.36 g/mol
LogP-0.92
Rot. Bonds6

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

2-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid (PubChem CID 60838279) has the molecular formula C11H20N2O5S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid
PubChem CID60838279
Molecular FormulaC11H20N2O5S
Molecular Weight292.36 g/mol
Exact Mass292.11
IUPAC Name2-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)CC(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C11H20N2O5S/c1-8(2)13(6-11(15)16)5-10(14)12-9-3-4-19(17,18)7-9/h8-9H,3-7H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyMEQCEWIIOITVGS-UHFFFAOYSA-N
XLogP-0.92
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[[2-(cyclopentylamino)-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60840485
N-(1,1-dioxothiolan-3-yl)-2-(4-fluoro-N-propan-2-ylanilino)acetamide
CID 51103962
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl-[(1R)-1-phenylethyl]amino]acetamide
CID 124835337
6-[(1,1-dioxothiolan-3-yl)amino]-6-oxohexanoic acid
CID 43529555
2-[benzhydryl(methyl)amino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 27071721
2-[benzhydryl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 51170978
N-(1,1-dioxothiolan-3-yl)butanamide
CID 18573523
2-[[2-[[(3S)-1,1-dioxothiolan-3-yl]methylamino]-2-oxoethyl]-propan-2-ylamino]acetamide
CID 94190311
N-[(3S)-1,1-dioxothiolan-3-yl]-2-iodoacetamide
CID 9196310
3-[(1,1-dioxothian-4-yl)carbamoyl-propan-2-ylamino]propanoic acid
CID 61201639
2-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]amino]pentanoic acid
CID 43631799
2-[[2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60839849

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid (CID 60838279) is 2-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)CC(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of 2-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid?
The InChIKey is MEQCEWIIOITVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5S/c1-8(2)13(6-11(15)16)5-10(14)12-9-3-4-19(17,18)7-9/h8-9H,3-7H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 2-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid?
2-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid has a molecular weight of 292.36 g/mol, XLogP of -0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid is sourced from PubChem (CID 60838279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).