2-[(1,1-dioxothiolan-3-yl)-(2-methoxyethyl)amino]propanoic acid

C10H19NO5S — CID 20994167

IUPAC2-[(1,1-dioxothiolan-3-yl)-(2-methoxyethyl)amino]propanoic acid
SMILESCOCCN(C1CCS(=O)(=O)C1)C(C)C(=O)O
InChIInChI=1S/C10H19NO5S/c1-8(10(12)13)11(4-5-16-2)9-3-6-17(14,15)7-9/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyDSIHKRIWNPIHQM-UHFFFAOYSA-N
MW265.33 g/mol
LogP-0.41
Rot. Bonds6

About 2-[(1,1-dioxothiolan-3-yl)-(2-methoxyethyl)amino]propanoic acid

2-[(1,1-dioxothiolan-3-yl)-(2-methoxyethyl)amino]propanoic acid (PubChem CID 20994167) has the molecular formula C10H19NO5S and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-[(1,1-dioxothiolan-3-yl)-(2-methoxyethyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(1,1-dioxothiolan-3-yl)-(2-methoxyethyl)amino]propanoic acid
PubChem CID20994167
Molecular FormulaC10H19NO5S
Molecular Weight265.33 g/mol
Exact Mass265.10
IUPAC Name2-[(1,1-dioxothiolan-3-yl)-(2-methoxyethyl)amino]propanoic acid
SMILESCOCCN(C1CCS(=O)(=O)C1)C(C)C(=O)O
InChIInChI=1S/C10H19NO5S/c1-8(10(12)13)11(4-5-16-2)9-3-6-17(14,15)7-9/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyDSIHKRIWNPIHQM-UHFFFAOYSA-N
XLogP-0.41
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-(2-methoxyethyl)amino]propanoic acid?
The IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-(2-methoxyethyl)amino]propanoic acid (CID 20994167) is 2-[(1,1-dioxothiolan-3-yl)-(2-methoxyethyl)amino]propanoic acid.
What is the SMILES notation for 2-[(1,1-dioxothiolan-3-yl)-(2-methoxyethyl)amino]propanoic acid?
The canonical SMILES for 2-[(1,1-dioxothiolan-3-yl)-(2-methoxyethyl)amino]propanoic acid is COCCN(C1CCS(=O)(=O)C1)C(C)C(=O)O.
What is the InChIKey of 2-[(1,1-dioxothiolan-3-yl)-(2-methoxyethyl)amino]propanoic acid?
The InChIKey is DSIHKRIWNPIHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5S/c1-8(10(12)13)11(4-5-16-2)9-3-6-17(14,15)7-9/h8-9H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 2-[(1,1-dioxothiolan-3-yl)-(2-methoxyethyl)amino]propanoic acid?
2-[(1,1-dioxothiolan-3-yl)-(2-methoxyethyl)amino]propanoic acid has a molecular weight of 265.33 g/mol, XLogP of -0.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothiolan-3-yl)-(2-methoxyethyl)amino]propanoic acid is sourced from PubChem (CID 20994167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).