2-[3-(2-ethylsulfinylethylamino)azetidin-3-yl]acetic acid

C9H18N2O3S — CID 107143147

IUPAC2-[3-(2-ethylsulfinylethylamino)azetidin-3-yl]acetic acid
SMILESCCS(=O)CCNC1(CC(=O)O)CNC1
InChIInChI=1S/C9H18N2O3S/c1-2-15(14)4-3-11-9(5-8(12)13)6-10-7-9/h10-11H,2-7H2,1H3,(H,12,13)
InChIKeyGYOSTYWINZGWGT-UHFFFAOYSA-N
MW234.32 g/mol
LogP-0.84
Rot. Bonds7

About 2-[3-(2-ethylsulfinylethylamino)azetidin-3-yl]acetic acid

2-[3-(2-ethylsulfinylethylamino)azetidin-3-yl]acetic acid (PubChem CID 107143147) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is 2-[3-(2-ethylsulfinylethylamino)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(2-ethylsulfinylethylamino)azetidin-3-yl]acetic acid
PubChem CID107143147
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC Name2-[3-(2-ethylsulfinylethylamino)azetidin-3-yl]acetic acid
SMILESCCS(=O)CCNC1(CC(=O)O)CNC1
InChIInChI=1S/C9H18N2O3S/c1-2-15(14)4-3-11-9(5-8(12)13)6-10-7-9/h10-11H,2-7H2,1H3,(H,12,13)
InChIKeyGYOSTYWINZGWGT-UHFFFAOYSA-N
XLogP-0.84
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[2-(dimethylamino)ethylamino]azetidin-3-yl]acetic acid
CID 107142240
2-[3-[[3-(ethylamino)-3-oxopropyl]amino]azetidin-3-yl]acetic acid
CID 107143026
2-[3-[[3-oxo-3-(propylamino)propyl]amino]azetidin-3-yl]acetic acid
CID 107142554
2-[3-[[3-(dimethylamino)-3-oxopropyl]amino]azetidin-3-yl]acetic acid
CID 107142498
2-[3-(4-methoxybutylamino)azetidin-3-yl]acetic acid
CID 107142488
2-[3-(hex-5-ynylamino)azetidin-3-yl]acetic acid
CID 106215248
2-[3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]azetidin-3-yl]acetic acid
CID 107143228
2-[3-[(4-hydroxycyclohexyl)methylamino]azetidin-3-yl]acetic acid
CID 106137098
2-[3-(2-methylsulfanylpropylamino)azetidin-3-yl]acetic acid
CID 107143102
2-[3-[2-(2-hydroxyethyl)pentylamino]azetidin-3-yl]acetic acid
CID 106115839
2-[3-(2-ethylhexylamino)azetidin-3-yl]acetic acid
CID 107816746
2-[3-(thian-2-ylmethylamino)azetidin-3-yl]acetic acid
CID 107142886

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-ethylsulfinylethylamino)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-(2-ethylsulfinylethylamino)azetidin-3-yl]acetic acid (CID 107143147) is 2-[3-(2-ethylsulfinylethylamino)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-(2-ethylsulfinylethylamino)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-(2-ethylsulfinylethylamino)azetidin-3-yl]acetic acid is CCS(=O)CCNC1(CC(=O)O)CNC1.
What is the InChIKey of 2-[3-(2-ethylsulfinylethylamino)azetidin-3-yl]acetic acid?
The InChIKey is GYOSTYWINZGWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-2-15(14)4-3-11-9(5-8(12)13)6-10-7-9/h10-11H,2-7H2,1H3,(H,12,13).
What are the key properties of 2-[3-(2-ethylsulfinylethylamino)azetidin-3-yl]acetic acid?
2-[3-(2-ethylsulfinylethylamino)azetidin-3-yl]acetic acid has a molecular weight of 234.32 g/mol, XLogP of -0.84, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-ethylsulfinylethylamino)azetidin-3-yl]acetic acid is sourced from PubChem (CID 107143147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).