2-[1-(thiolan-3-ylmethyl)azetidin-3-yl]acetic acid

C10H17NO2S — CID 107133710

IUPAC2-[1-(thiolan-3-ylmethyl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(CC2CCSC2)C1
InChIInChI=1S/C10H17NO2S/c12-10(13)3-9-5-11(6-9)4-8-1-2-14-7-8/h8-9H,1-7H2,(H,12,13)
InChIKeyJMPUMLZHYNVORX-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.15
Rot. Bonds4

About 2-[1-(thiolan-3-ylmethyl)azetidin-3-yl]acetic acid

2-[1-(thiolan-3-ylmethyl)azetidin-3-yl]acetic acid (PubChem CID 107133710) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is 2-[1-(thiolan-3-ylmethyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(thiolan-3-ylmethyl)azetidin-3-yl]acetic acid
PubChem CID107133710
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Name2-[1-(thiolan-3-ylmethyl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(CC2CCSC2)C1
InChIInChI=1S/C10H17NO2S/c12-10(13)3-9-5-11(6-9)4-8-1-2-14-7-8/h8-9H,1-7H2,(H,12,13)
InChIKeyJMPUMLZHYNVORX-UHFFFAOYSA-N
XLogP1.15
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(thiolan-3-ylmethyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(thiolan-3-ylmethyl)azetidin-3-yl]acetic acid (CID 107133710) is 2-[1-(thiolan-3-ylmethyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(thiolan-3-ylmethyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(thiolan-3-ylmethyl)azetidin-3-yl]acetic acid is O=C(O)CC1CN(CC2CCSC2)C1.
What is the InChIKey of 2-[1-(thiolan-3-ylmethyl)azetidin-3-yl]acetic acid?
The InChIKey is JMPUMLZHYNVORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c12-10(13)3-9-5-11(6-9)4-8-1-2-14-7-8/h8-9H,1-7H2,(H,12,13).
What are the key properties of 2-[1-(thiolan-3-ylmethyl)azetidin-3-yl]acetic acid?
2-[1-(thiolan-3-ylmethyl)azetidin-3-yl]acetic acid has a molecular weight of 215.32 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(thiolan-3-ylmethyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 107133710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).