2-[2-(dimethylamino)ethyl-(1,1-dioxothiolan-3-yl)amino]-2-methylpropanoic acid

C12H24N2O4S — CID 22682032

IUPAC2-[2-(dimethylamino)ethyl-(1,1-dioxothiolan-3-yl)amino]-2-methylpropanoic acid
SMILESCN(C)CCN(C1CCS(=O)(=O)C1)C(C)(C)C(=O)O
InChIInChI=1S/C12H24N2O4S/c1-12(2,11(15)16)14(7-6-13(3)4)10-5-8-19(17,18)9-10/h10H,5-9H2,1-4H3,(H,15,16)
InChIKeyUVBLYECKZUHWOT-UHFFFAOYSA-N
MW292.40 g/mol
LogP-0.10
Rot. Bonds6

About 2-[2-(dimethylamino)ethyl-(1,1-dioxothiolan-3-yl)amino]-2-methylpropanoic acid

2-[2-(dimethylamino)ethyl-(1,1-dioxothiolan-3-yl)amino]-2-methylpropanoic acid (PubChem CID 22682032) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-(1,1-dioxothiolan-3-yl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-(1,1-dioxothiolan-3-yl)amino]-2-methylpropanoic acid
PubChem CID22682032
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Name2-[2-(dimethylamino)ethyl-(1,1-dioxothiolan-3-yl)amino]-2-methylpropanoic acid
SMILESCN(C)CCN(C1CCS(=O)(=O)C1)C(C)(C)C(=O)O
InChIInChI=1S/C12H24N2O4S/c1-12(2,11(15)16)14(7-6-13(3)4)10-5-8-19(17,18)9-10/h10H,5-9H2,1-4H3,(H,15,16)
InChIKeyUVBLYECKZUHWOT-UHFFFAOYSA-N
XLogP-0.10
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-(1,1-dioxothiolan-3-yl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-(1,1-dioxothiolan-3-yl)amino]-2-methylpropanoic acid (CID 22682032) is 2-[2-(dimethylamino)ethyl-(1,1-dioxothiolan-3-yl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-(1,1-dioxothiolan-3-yl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-(1,1-dioxothiolan-3-yl)amino]-2-methylpropanoic acid is CN(C)CCN(C1CCS(=O)(=O)C1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-(1,1-dioxothiolan-3-yl)amino]-2-methylpropanoic acid?
The InChIKey is UVBLYECKZUHWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-12(2,11(15)16)14(7-6-13(3)4)10-5-8-19(17,18)9-10/h10H,5-9H2,1-4H3,(H,15,16).
What are the key properties of 2-[2-(dimethylamino)ethyl-(1,1-dioxothiolan-3-yl)amino]-2-methylpropanoic acid?
2-[2-(dimethylamino)ethyl-(1,1-dioxothiolan-3-yl)amino]-2-methylpropanoic acid has a molecular weight of 292.40 g/mol, XLogP of -0.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-(1,1-dioxothiolan-3-yl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 22682032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).