4-[2-(dimethylamino)ethyl-(1,1-dioxothiolan-3-yl)amino]butanoic acid

C12H24N2O4S — CID 20984123

IUPAC4-[2-(dimethylamino)ethyl-(1,1-dioxothiolan-3-yl)amino]butanoic acid
SMILESCN(C)CCN(CCCC(=O)O)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H24N2O4S/c1-13(2)7-8-14(6-3-4-12(15)16)11-5-9-19(17,18)10-11/h11H,3-10H2,1-2H3,(H,15,16)
InChIKeyCRWVIGPBPPRKDD-UHFFFAOYSA-N
MW292.40 g/mol
LogP-0.10
Rot. Bonds8

About 4-[2-(dimethylamino)ethyl-(1,1-dioxothiolan-3-yl)amino]butanoic acid

4-[2-(dimethylamino)ethyl-(1,1-dioxothiolan-3-yl)amino]butanoic acid (PubChem CID 20984123) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl-(1,1-dioxothiolan-3-yl)amino]butanoic acid.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl-(1,1-dioxothiolan-3-yl)amino]butanoic acid
PubChem CID20984123
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Name4-[2-(dimethylamino)ethyl-(1,1-dioxothiolan-3-yl)amino]butanoic acid
SMILESCN(C)CCN(CCCC(=O)O)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H24N2O4S/c1-13(2)7-8-14(6-3-4-12(15)16)11-5-9-19(17,18)10-11/h11H,3-10H2,1-2H3,(H,15,16)
InChIKeyCRWVIGPBPPRKDD-UHFFFAOYSA-N
XLogP-0.10
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
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 4-[2-(dimethylamino)ethyl-(1,1-dioxothiolan-3-yl)amino]butanoic acid?
The IUPAC name of 4-[2-(dimethylamino)ethyl-(1,1-dioxothiolan-3-yl)amino]butanoic acid (CID 20984123) is 4-[2-(dimethylamino)ethyl-(1,1-dioxothiolan-3-yl)amino]butanoic acid.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl-(1,1-dioxothiolan-3-yl)amino]butanoic acid?
The canonical SMILES for 4-[2-(dimethylamino)ethyl-(1,1-dioxothiolan-3-yl)amino]butanoic acid is CN(C)CCN(CCCC(=O)O)C1CCS(=O)(=O)C1.
What is the InChIKey of 4-[2-(dimethylamino)ethyl-(1,1-dioxothiolan-3-yl)amino]butanoic acid?
The InChIKey is CRWVIGPBPPRKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-13(2)7-8-14(6-3-4-12(15)16)11-5-9-19(17,18)10-11/h11H,3-10H2,1-2H3,(H,15,16).
What are the key properties of 4-[2-(dimethylamino)ethyl-(1,1-dioxothiolan-3-yl)amino]butanoic acid?
4-[2-(dimethylamino)ethyl-(1,1-dioxothiolan-3-yl)amino]butanoic acid has a molecular weight of 292.40 g/mol, XLogP of -0.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl-(1,1-dioxothiolan-3-yl)amino]butanoic acid is sourced from PubChem (CID 20984123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).