2-[1-[2-(3-amino-3-oxopropyl)sulfonylethyl]-3-methylazetidin-3-yl]oxyacetic acid

C11H20N2O6S — CID 102659568

IUPAC2-[1-[2-(3-amino-3-oxopropyl)sulfonylethyl]-3-methylazetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(CCS(=O)(=O)CCC(N)=O)C1
InChIInChI=1S/C11H20N2O6S/c1-11(19-6-10(15)16)7-13(8-11)3-5-20(17,18)4-2-9(12)14/h2-8H2,1H3,(H2,12,14)(H,15,16)
InChIKeyNTGKSNYHWYLYQH-UHFFFAOYSA-N
MW308.36 g/mol
LogP-1.55
Rot. Bonds9

About 2-[1-[2-(3-amino-3-oxopropyl)sulfonylethyl]-3-methylazetidin-3-yl]oxyacetic acid

2-[1-[2-(3-amino-3-oxopropyl)sulfonylethyl]-3-methylazetidin-3-yl]oxyacetic acid (PubChem CID 102659568) has the molecular formula C11H20N2O6S and a molecular weight of 308.36 g/mol. Its IUPAC name is 2-[1-[2-(3-amino-3-oxopropyl)sulfonylethyl]-3-methylazetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[2-(3-amino-3-oxopropyl)sulfonylethyl]-3-methylazetidin-3-yl]oxyacetic acid
PubChem CID102659568
Molecular FormulaC11H20N2O6S
Molecular Weight308.36 g/mol
Exact Mass308.10
IUPAC Name2-[1-[2-(3-amino-3-oxopropyl)sulfonylethyl]-3-methylazetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(CCS(=O)(=O)CCC(N)=O)C1
InChIInChI=1S/C11H20N2O6S/c1-11(19-6-10(15)16)7-13(8-11)3-5-20(17,18)4-2-9(12)14/h2-8H2,1H3,(H2,12,14)(H,15,16)
InChIKeyNTGKSNYHWYLYQH-UHFFFAOYSA-N
XLogP-1.55
TPSA127.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 5-1.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(2-ethylsulfonylethyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659654
2-[1-(3-aminopropyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659532
3-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethylsulfonyl]propanamide
CID 113249862
2-[3-methyl-1-(2-methylsulfanylethyl)azetidin-3-yl]oxyacetic acid
CID 102659384
2-[1-[(E)-but-2-enyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659302
2-[3-methyl-1-(trifluoromethylsulfonyl)azetidin-3-yl]oxyacetic acid
CID 102657711
2-(1-tert-butylsulfonyl-3-methylazetidin-3-yl)oxyacetic acid
CID 102657755
2-[1-(2-methoxypropyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659454
2-[1-(2-hydroxypropyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659347
1-[2-(3-amino-3-oxopropyl)sulfonylethyl]piperidine-4-carboxylic acid
CID 43441535
2-[1-[2-(3-amino-3-oxopropyl)sulfonylethyl]piperidin-3-yl]acetic acid
CID 62690799
2-[4-[2-(3-amino-3-oxopropyl)sulfonylethyl]morpholin-2-yl]acetic acid
CID 66433496

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3-amino-3-oxopropyl)sulfonylethyl]-3-methylazetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[1-[2-(3-amino-3-oxopropyl)sulfonylethyl]-3-methylazetidin-3-yl]oxyacetic acid (CID 102659568) is 2-[1-[2-(3-amino-3-oxopropyl)sulfonylethyl]-3-methylazetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[2-(3-amino-3-oxopropyl)sulfonylethyl]-3-methylazetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[2-(3-amino-3-oxopropyl)sulfonylethyl]-3-methylazetidin-3-yl]oxyacetic acid is CC1(OCC(=O)O)CN(CCS(=O)(=O)CCC(N)=O)C1.
What is the InChIKey of 2-[1-[2-(3-amino-3-oxopropyl)sulfonylethyl]-3-methylazetidin-3-yl]oxyacetic acid?
The InChIKey is NTGKSNYHWYLYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O6S/c1-11(19-6-10(15)16)7-13(8-11)3-5-20(17,18)4-2-9(12)14/h2-8H2,1H3,(H2,12,14)(H,15,16).
What are the key properties of 2-[1-[2-(3-amino-3-oxopropyl)sulfonylethyl]-3-methylazetidin-3-yl]oxyacetic acid?
2-[1-[2-(3-amino-3-oxopropyl)sulfonylethyl]-3-methylazetidin-3-yl]oxyacetic acid has a molecular weight of 308.36 g/mol, XLogP of -1.55, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(3-amino-3-oxopropyl)sulfonylethyl]-3-methylazetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102659568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).