2-(1-cyclopropylsulfonylazetidin-3-yl)acetic acid

C8H13NO4S — CID 64616822

IUPAC2-(1-cyclopropylsulfonylazetidin-3-yl)acetic acid
SMILESO=C(O)CC1CN(S(=O)(=O)C2CC2)C1
InChIInChI=1S/C8H13NO4S/c10-8(11)3-6-4-9(5-6)14(12,13)7-1-2-7/h6-7H,1-5H2,(H,10,11)
InChIKeyLXSDLQIXHDOBRG-UHFFFAOYSA-N
MW219.26 g/mol
LogP-0.11
Rot. Bonds4

About 2-(1-cyclopropylsulfonylazetidin-3-yl)acetic acid

2-(1-cyclopropylsulfonylazetidin-3-yl)acetic acid (PubChem CID 64616822) has the molecular formula C8H13NO4S and a molecular weight of 219.26 g/mol. Its IUPAC name is 2-(1-cyclopropylsulfonylazetidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1-cyclopropylsulfonylazetidin-3-yl)acetic acid
PubChem CID64616822
Molecular FormulaC8H13NO4S
Molecular Weight219.26 g/mol
Exact Mass219.06
IUPAC Name2-(1-cyclopropylsulfonylazetidin-3-yl)acetic acid
SMILESO=C(O)CC1CN(S(=O)(=O)C2CC2)C1
InChIInChI=1S/C8H13NO4S/c10-8(11)3-6-4-9(5-6)14(12,13)7-1-2-7/h6-7H,1-5H2,(H,10,11)
InChIKeyLXSDLQIXHDOBRG-UHFFFAOYSA-N
XLogP-0.11
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylsulfonylazetidin-3-yl)acetic acid?
The IUPAC name of 2-(1-cyclopropylsulfonylazetidin-3-yl)acetic acid (CID 64616822) is 2-(1-cyclopropylsulfonylazetidin-3-yl)acetic acid.
What is the SMILES notation for 2-(1-cyclopropylsulfonylazetidin-3-yl)acetic acid?
The canonical SMILES for 2-(1-cyclopropylsulfonylazetidin-3-yl)acetic acid is O=C(O)CC1CN(S(=O)(=O)C2CC2)C1.
What is the InChIKey of 2-(1-cyclopropylsulfonylazetidin-3-yl)acetic acid?
The InChIKey is LXSDLQIXHDOBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4S/c10-8(11)3-6-4-9(5-6)14(12,13)7-1-2-7/h6-7H,1-5H2,(H,10,11).
What are the key properties of 2-(1-cyclopropylsulfonylazetidin-3-yl)acetic acid?
2-(1-cyclopropylsulfonylazetidin-3-yl)acetic acid has a molecular weight of 219.26 g/mol, XLogP of -0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylsulfonylazetidin-3-yl)acetic acid is sourced from PubChem (CID 64616822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).