2-[1-[(3-methoxy-3-methylbutyl)sulfinylmethyl]cyclopropyl]acetic acid

C12H22O4S — CID 103036330

IUPAC2-[1-[(3-methoxy-3-methylbutyl)sulfinylmethyl]cyclopropyl]acetic acid
SMILESCOC(C)(C)CCS(=O)CC1(CC(=O)O)CC1
InChIInChI=1S/C12H22O4S/c1-11(2,16-3)6-7-17(15)9-12(4-5-12)8-10(13)14/h4-9H2,1-3H3,(H,13,14)
InChIKeyZFQUBBBPNVXCAA-UHFFFAOYSA-N
MW262.37 g/mol
LogP1.81
Rot. Bonds8

About 2-[1-[(3-methoxy-3-methylbutyl)sulfinylmethyl]cyclopropyl]acetic acid

2-[1-[(3-methoxy-3-methylbutyl)sulfinylmethyl]cyclopropyl]acetic acid (PubChem CID 103036330) has the molecular formula C12H22O4S and a molecular weight of 262.37 g/mol. Its IUPAC name is 2-[1-[(3-methoxy-3-methylbutyl)sulfinylmethyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3-methoxy-3-methylbutyl)sulfinylmethyl]cyclopropyl]acetic acid
PubChem CID103036330
Molecular FormulaC12H22O4S
Molecular Weight262.37 g/mol
Exact Mass262.12
IUPAC Name2-[1-[(3-methoxy-3-methylbutyl)sulfinylmethyl]cyclopropyl]acetic acid
SMILESCOC(C)(C)CCS(=O)CC1(CC(=O)O)CC1
InChIInChI=1S/C12H22O4S/c1-11(2,16-3)6-7-17(15)9-12(4-5-12)8-10(13)14/h4-9H2,1-3H3,(H,13,14)
InChIKeyZFQUBBBPNVXCAA-UHFFFAOYSA-N
XLogP1.81
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-[(3-methoxy-3-methylbutyl)sulfinylmethyl]cyclopropyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-methoxy-3-methylbutyl)sulfinylmethyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[(3-methoxy-3-methylbutyl)sulfinylmethyl]cyclopropyl]acetic acid (CID 103036330) is 2-[1-[(3-methoxy-3-methylbutyl)sulfinylmethyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[(3-methoxy-3-methylbutyl)sulfinylmethyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[(3-methoxy-3-methylbutyl)sulfinylmethyl]cyclopropyl]acetic acid is COC(C)(C)CCS(=O)CC1(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[(3-methoxy-3-methylbutyl)sulfinylmethyl]cyclopropyl]acetic acid?
The InChIKey is ZFQUBBBPNVXCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4S/c1-11(2,16-3)6-7-17(15)9-12(4-5-12)8-10(13)14/h4-9H2,1-3H3,(H,13,14).
What are the key properties of 2-[1-[(3-methoxy-3-methylbutyl)sulfinylmethyl]cyclopropyl]acetic acid?
2-[1-[(3-methoxy-3-methylbutyl)sulfinylmethyl]cyclopropyl]acetic acid has a molecular weight of 262.37 g/mol, XLogP of 1.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-methoxy-3-methylbutyl)sulfinylmethyl]cyclopropyl]acetic acid is sourced from PubChem (CID 103036330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).