2-[1-(oxan-4-ylsulfonyl)azetidin-3-yl]acetic acid

C10H17NO5S — CID 64617436

IUPAC2-[1-(oxan-4-ylsulfonyl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(S(=O)(=O)C2CCOCC2)C1
InChIInChI=1S/C10H17NO5S/c12-10(13)5-8-6-11(7-8)17(14,15)9-1-3-16-4-2-9/h8-9H,1-7H2,(H,12,13)
InChIKeyUJESEJLEWNZOKR-UHFFFAOYSA-N
MW263.31 g/mol
LogP-0.10
Rot. Bonds4

About 2-[1-(oxan-4-ylsulfonyl)azetidin-3-yl]acetic acid

2-[1-(oxan-4-ylsulfonyl)azetidin-3-yl]acetic acid (PubChem CID 64617436) has the molecular formula C10H17NO5S and a molecular weight of 263.31 g/mol. Its IUPAC name is 2-[1-(oxan-4-ylsulfonyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(oxan-4-ylsulfonyl)azetidin-3-yl]acetic acid
PubChem CID64617436
Molecular FormulaC10H17NO5S
Molecular Weight263.31 g/mol
Exact Mass263.08
IUPAC Name2-[1-(oxan-4-ylsulfonyl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(S(=O)(=O)C2CCOCC2)C1
InChIInChI=1S/C10H17NO5S/c12-10(13)5-8-6-11(7-8)17(14,15)9-1-3-16-4-2-9/h8-9H,1-7H2,(H,12,13)
InChIKeyUJESEJLEWNZOKR-UHFFFAOYSA-N
XLogP-0.10
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(oxan-4-ylsulfonyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(oxan-4-ylsulfonyl)azetidin-3-yl]acetic acid (CID 64617436) is 2-[1-(oxan-4-ylsulfonyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(oxan-4-ylsulfonyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(oxan-4-ylsulfonyl)azetidin-3-yl]acetic acid is O=C(O)CC1CN(S(=O)(=O)C2CCOCC2)C1.
What is the InChIKey of 2-[1-(oxan-4-ylsulfonyl)azetidin-3-yl]acetic acid?
The InChIKey is UJESEJLEWNZOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5S/c12-10(13)5-8-6-11(7-8)17(14,15)9-1-3-16-4-2-9/h8-9H,1-7H2,(H,12,13).
What are the key properties of 2-[1-(oxan-4-ylsulfonyl)azetidin-3-yl]acetic acid?
2-[1-(oxan-4-ylsulfonyl)azetidin-3-yl]acetic acid has a molecular weight of 263.31 g/mol, XLogP of -0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(oxan-4-ylsulfonyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 64617436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).