2-[1-[(2-methyltetrazol-5-yl)methylsulfonylmethyl]cyclopropyl]acetic acid

C9H14N4O4S — CID 107043084

IUPAC2-[1-[(2-methyltetrazol-5-yl)methylsulfonylmethyl]cyclopropyl]acetic acid
SMILESCn1nnc(CS(=O)(=O)CC2(CC(=O)O)CC2)n1
InChIInChI=1S/C9H14N4O4S/c1-13-11-7(10-12-13)5-18(16,17)6-9(2-3-9)4-8(14)15/h2-6H2,1H3,(H,14,15)
InChIKeyFYUIUDGHRYIZTP-UHFFFAOYSA-N
MW274.30 g/mol
LogP-0.62
Rot. Bonds6

About 2-[1-[(2-methyltetrazol-5-yl)methylsulfonylmethyl]cyclopropyl]acetic acid

2-[1-[(2-methyltetrazol-5-yl)methylsulfonylmethyl]cyclopropyl]acetic acid (PubChem CID 107043084) has the molecular formula C9H14N4O4S and a molecular weight of 274.30 g/mol. Its IUPAC name is 2-[1-[(2-methyltetrazol-5-yl)methylsulfonylmethyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-methyltetrazol-5-yl)methylsulfonylmethyl]cyclopropyl]acetic acid
PubChem CID107043084
Molecular FormulaC9H14N4O4S
Molecular Weight274.30 g/mol
Exact Mass274.07
IUPAC Name2-[1-[(2-methyltetrazol-5-yl)methylsulfonylmethyl]cyclopropyl]acetic acid
SMILESCn1nnc(CS(=O)(=O)CC2(CC(=O)O)CC2)n1
InChIInChI=1S/C9H14N4O4S/c1-13-11-7(10-12-13)5-18(16,17)6-9(2-3-9)4-8(14)15/h2-6H2,1H3,(H,14,15)
InChIKeyFYUIUDGHRYIZTP-UHFFFAOYSA-N
XLogP-0.62
TPSA115.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methyltetrazol-5-yl)methylsulfonylmethyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[(2-methyltetrazol-5-yl)methylsulfonylmethyl]cyclopropyl]acetic acid (CID 107043084) is 2-[1-[(2-methyltetrazol-5-yl)methylsulfonylmethyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[(2-methyltetrazol-5-yl)methylsulfonylmethyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[(2-methyltetrazol-5-yl)methylsulfonylmethyl]cyclopropyl]acetic acid is Cn1nnc(CS(=O)(=O)CC2(CC(=O)O)CC2)n1.
What is the InChIKey of 2-[1-[(2-methyltetrazol-5-yl)methylsulfonylmethyl]cyclopropyl]acetic acid?
The InChIKey is FYUIUDGHRYIZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O4S/c1-13-11-7(10-12-13)5-18(16,17)6-9(2-3-9)4-8(14)15/h2-6H2,1H3,(H,14,15).
What are the key properties of 2-[1-[(2-methyltetrazol-5-yl)methylsulfonylmethyl]cyclopropyl]acetic acid?
2-[1-[(2-methyltetrazol-5-yl)methylsulfonylmethyl]cyclopropyl]acetic acid has a molecular weight of 274.30 g/mol, XLogP of -0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methyltetrazol-5-yl)methylsulfonylmethyl]cyclopropyl]acetic acid is sourced from PubChem (CID 107043084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).