2-[(1,1-dioxothiolan-3-yl)-(3-ethoxy-2-hydroxypropyl)amino]acetic acid

C11H21NO6S — CID 63931578

IUPAC2-[(1,1-dioxothiolan-3-yl)-(3-ethoxy-2-hydroxypropyl)amino]acetic acid
SMILESCCOCC(O)CN(CC(=O)O)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H21NO6S/c1-2-18-7-10(13)5-12(6-11(14)15)9-3-4-19(16,17)8-9/h9-10,13H,2-8H2,1H3,(H,14,15)
InChIKeyRQCFYFQQIYLNLT-UHFFFAOYSA-N
MW295.36 g/mol
LogP-1.04
Rot. Bonds8

About 2-[(1,1-dioxothiolan-3-yl)-(3-ethoxy-2-hydroxypropyl)amino]acetic acid

2-[(1,1-dioxothiolan-3-yl)-(3-ethoxy-2-hydroxypropyl)amino]acetic acid (PubChem CID 63931578) has the molecular formula C11H21NO6S and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-[(1,1-dioxothiolan-3-yl)-(3-ethoxy-2-hydroxypropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1,1-dioxothiolan-3-yl)-(3-ethoxy-2-hydroxypropyl)amino]acetic acid
PubChem CID63931578
Molecular FormulaC11H21NO6S
Molecular Weight295.36 g/mol
Exact Mass295.11
IUPAC Name2-[(1,1-dioxothiolan-3-yl)-(3-ethoxy-2-hydroxypropyl)amino]acetic acid
SMILESCCOCC(O)CN(CC(=O)O)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H21NO6S/c1-2-18-7-10(13)5-12(6-11(14)15)9-3-4-19(16,17)8-9/h9-10,13H,2-8H2,1H3,(H,14,15)
InChIKeyRQCFYFQQIYLNLT-UHFFFAOYSA-N
XLogP-1.04
TPSA104.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(1,1-dioxothiolan-3-yl)-(3-ethoxy-2-hydroxypropyl)amino]acetic acid with MolForge

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Related Compounds

2-[(3-butoxy-2-hydroxypropyl)-cyclopropylamino]acetic acid
CID 107263550
2-[(1,1-dioxothiolan-3-yl)-heptylamino]acetic acid
CID 60840580
1-(1,1-dioxothiolan-3-yl)-3-ethoxypropan-2-ol
CID 105111757
2-[(1,1-dioxothiolan-3-yl)-ethylsulfonylamino]acetic acid
CID 60675324
2-[(1,1-dioxothiolan-3-yl)-[2-(ethylamino)-2-oxoethyl]amino]acetic acid
CID 60838538
2-[cyclobutylmethyl-(1,1-dioxothiolan-3-yl)amino]acetic acid
CID 65459687
2-[but-2-ynyl-(1,1-dioxothiolan-3-yl)amino]acetic acid
CID 62312163
2-[(1,1-dioxothiolan-3-yl)-(3-methylbut-3-enyl)amino]acetic acid
CID 114473118
1-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-(methylamino)propan-2-ol
CID 112501231
2-[(1,1-dioxothiolan-3-yl)-(3-fluoropropyl)amino]acetic acid
CID 81114361
2-[butylsulfonyl-(1,1-dioxothiolan-3-yl)amino]acetic acid
CID 54918049
2-[(1,1-dioxothiolan-3-yl)-(2-ethoxy-2-oxoethyl)sulfonylamino]acetic acid
CID 61456599

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-(3-ethoxy-2-hydroxypropyl)amino]acetic acid?
The IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-(3-ethoxy-2-hydroxypropyl)amino]acetic acid (CID 63931578) is 2-[(1,1-dioxothiolan-3-yl)-(3-ethoxy-2-hydroxypropyl)amino]acetic acid.
What is the SMILES notation for 2-[(1,1-dioxothiolan-3-yl)-(3-ethoxy-2-hydroxypropyl)amino]acetic acid?
The canonical SMILES for 2-[(1,1-dioxothiolan-3-yl)-(3-ethoxy-2-hydroxypropyl)amino]acetic acid is CCOCC(O)CN(CC(=O)O)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-[(1,1-dioxothiolan-3-yl)-(3-ethoxy-2-hydroxypropyl)amino]acetic acid?
The InChIKey is RQCFYFQQIYLNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO6S/c1-2-18-7-10(13)5-12(6-11(14)15)9-3-4-19(16,17)8-9/h9-10,13H,2-8H2,1H3,(H,14,15).
What are the key properties of 2-[(1,1-dioxothiolan-3-yl)-(3-ethoxy-2-hydroxypropyl)amino]acetic acid?
2-[(1,1-dioxothiolan-3-yl)-(3-ethoxy-2-hydroxypropyl)amino]acetic acid has a molecular weight of 295.36 g/mol, XLogP of -1.04, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothiolan-3-yl)-(3-ethoxy-2-hydroxypropyl)amino]acetic acid is sourced from PubChem (CID 63931578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).