2-[1-[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]azetidin-3-yl]acetic acid

C11H18N2O5S — CID 64618623

IUPAC2-[1-[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]azetidin-3-yl]acetic acid
SMILESCN(C(=O)N1CC(CC(=O)O)C1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H18N2O5S/c1-12(9-2-3-19(17,18)7-9)11(16)13-5-8(6-13)4-10(14)15/h8-9H,2-7H2,1H3,(H,14,15)
InChIKeyJWAABFOOIORFQV-UHFFFAOYSA-N
MW290.34 g/mol
LogP-0.37
Rot. Bonds3

About 2-[1-[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]azetidin-3-yl]acetic acid

2-[1-[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]azetidin-3-yl]acetic acid (PubChem CID 64618623) has the molecular formula C11H18N2O5S and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-[1-[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]azetidin-3-yl]acetic acid
PubChem CID64618623
Molecular FormulaC11H18N2O5S
Molecular Weight290.34 g/mol
Exact Mass290.09
IUPAC Name2-[1-[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]azetidin-3-yl]acetic acid
SMILESCN(C(=O)N1CC(CC(=O)O)C1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H18N2O5S/c1-12(9-2-3-19(17,18)7-9)11(16)13-5-8(6-13)4-10(14)15/h8-9H,2-7H2,1H3,(H,14,15)
InChIKeyJWAABFOOIORFQV-UHFFFAOYSA-N
XLogP-0.37
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]azetidin-3-yl]acetic acid with MolForge

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N,3-dimethylpiperidine-1-carboxamide
CID 108989402
N-(1,1-dioxothiolan-3-yl)-N-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 108989379
1,3-bis(1,1-dioxothiolan-3-yl)-1,3-dimethylurea
CID 108989373
N,N'-bis(1,1-dioxothiolan-3-yl)-N,N'-dimethylpropanediamide
CID 108949171
N-(1,1-dioxothiolan-3-yl)-2,2-diethyl-N-methyl-1-oxo-1,4-thiazinane-4-carboxamide
CID 136541398
2-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]acetic acid
CID 43649063
3-[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl]sulfanylpropanoic acid
CID 43238044
1-[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61205229
N-(1,1-dioxothiolan-3-yl)-N,3-dimethylbutanamide
CID 3450541
1-[(3R)-1,1-dioxothiolan-3-yl]-1,3,3-trimethylurea
CID 7282876
N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylcarbamothioate
CID 7059128
(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 78971907

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]azetidin-3-yl]acetic acid (CID 64618623) is 2-[1-[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]azetidin-3-yl]acetic acid is CN(C(=O)N1CC(CC(=O)O)C1)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-[1-[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]azetidin-3-yl]acetic acid?
The InChIKey is JWAABFOOIORFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5S/c1-12(9-2-3-19(17,18)7-9)11(16)13-5-8(6-13)4-10(14)15/h8-9H,2-7H2,1H3,(H,14,15).
What are the key properties of 2-[1-[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]azetidin-3-yl]acetic acid?
2-[1-[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]azetidin-3-yl]acetic acid has a molecular weight of 290.34 g/mol, XLogP of -0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 64618623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).