2-[1-(pyrimidin-2-ylmethylsulfonylmethyl)cyclopropyl]acetic acid

C11H14N2O4S — CID 65443713

IUPAC2-[1-(pyrimidin-2-ylmethylsulfonylmethyl)cyclopropyl]acetic acid
SMILESO=C(O)CC1(CS(=O)(=O)Cc2ncccn2)CC1
InChIInChI=1S/C11H14N2O4S/c14-10(15)6-11(2-3-11)8-18(16,17)7-9-12-4-1-5-13-9/h1,4-5H,2-3,6-8H2,(H,14,15)
InChIKeyVZQJYULGONAAKR-UHFFFAOYSA-N
MW270.31 g/mol
LogP0.65
Rot. Bonds6

About 2-[1-(pyrimidin-2-ylmethylsulfonylmethyl)cyclopropyl]acetic acid

2-[1-(pyrimidin-2-ylmethylsulfonylmethyl)cyclopropyl]acetic acid (PubChem CID 65443713) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-[1-(pyrimidin-2-ylmethylsulfonylmethyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(pyrimidin-2-ylmethylsulfonylmethyl)cyclopropyl]acetic acid
PubChem CID65443713
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Name2-[1-(pyrimidin-2-ylmethylsulfonylmethyl)cyclopropyl]acetic acid
SMILESO=C(O)CC1(CS(=O)(=O)Cc2ncccn2)CC1
InChIInChI=1S/C11H14N2O4S/c14-10(15)6-11(2-3-11)8-18(16,17)7-9-12-4-1-5-13-9/h1,4-5H,2-3,6-8H2,(H,14,15)
InChIKeyVZQJYULGONAAKR-UHFFFAOYSA-N
XLogP0.65
TPSA97.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(pyrimidin-2-ylmethylsulfonylmethyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(pyrimidin-2-ylmethylsulfonylmethyl)cyclopropyl]acetic acid (CID 65443713) is 2-[1-(pyrimidin-2-ylmethylsulfonylmethyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(pyrimidin-2-ylmethylsulfonylmethyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(pyrimidin-2-ylmethylsulfonylmethyl)cyclopropyl]acetic acid is O=C(O)CC1(CS(=O)(=O)Cc2ncccn2)CC1.
What is the InChIKey of 2-[1-(pyrimidin-2-ylmethylsulfonylmethyl)cyclopropyl]acetic acid?
The InChIKey is VZQJYULGONAAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c14-10(15)6-11(2-3-11)8-18(16,17)7-9-12-4-1-5-13-9/h1,4-5H,2-3,6-8H2,(H,14,15).
What are the key properties of 2-[1-(pyrimidin-2-ylmethylsulfonylmethyl)cyclopropyl]acetic acid?
2-[1-(pyrimidin-2-ylmethylsulfonylmethyl)cyclopropyl]acetic acid has a molecular weight of 270.31 g/mol, XLogP of 0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(pyrimidin-2-ylmethylsulfonylmethyl)cyclopropyl]acetic acid is sourced from PubChem (CID 65443713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).