(8R)-7-[(2-methylpropan-2-yl)oxycarbonyl]-5-thia-7-azaspiro[3.4]octane-8-carboxylic acid

C12H19NO4S — CID 71209548

IUPAC(8R)-7-[(2-methylpropan-2-yl)oxycarbonyl]-5-thia-7-azaspiro[3.4]octane-8-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CSC2(CCC2)[C@H]1C(=O)O
InChIInChI=1S/C12H19NO4S/c1-11(2,3)17-10(16)13-7-18-12(5-4-6-12)8(13)9(14)15/h8H,4-7H2,1-3H3,(H,14,15)/t8-/m1/s1
InChIKeyYMAKSKBFPYYMSC-MRVPVSSYSA-N
MW273.35 g/mol
LogP2.30
Rot. Bonds1

About (8R)-7-[(2-methylpropan-2-yl)oxycarbonyl]-5-thia-7-azaspiro[3.4]octane-8-carboxylic acid

(8R)-7-[(2-methylpropan-2-yl)oxycarbonyl]-5-thia-7-azaspiro[3.4]octane-8-carboxylic acid (PubChem CID 71209548) has the molecular formula C12H19NO4S and a molecular weight of 273.35 g/mol. Its IUPAC name is (8R)-7-[(2-methylpropan-2-yl)oxycarbonyl]-5-thia-7-azaspiro[3.4]octane-8-carboxylic acid.

Molecular Properties

Compound Name(8R)-7-[(2-methylpropan-2-yl)oxycarbonyl]-5-thia-7-azaspiro[3.4]octane-8-carboxylic acid
PubChem CID71209548
Molecular FormulaC12H19NO4S
Molecular Weight273.35 g/mol
Exact Mass273.10
IUPAC Name(8R)-7-[(2-methylpropan-2-yl)oxycarbonyl]-5-thia-7-azaspiro[3.4]octane-8-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CSC2(CCC2)[C@H]1C(=O)O
InChIInChI=1S/C12H19NO4S/c1-11(2,3)17-10(16)13-7-18-12(5-4-6-12)8(13)9(14)15/h8H,4-7H2,1-3H3,(H,14,15)/t8-/m1/s1
InChIKeyYMAKSKBFPYYMSC-MRVPVSSYSA-N
XLogP2.30
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (8R)-7-[(2-methylpropan-2-yl)oxycarbonyl]-5-thia-7-azaspiro[3.4]octane-8-carboxylic 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 (8R)-7-[(2-methylpropan-2-yl)oxycarbonyl]-5-thia-7-azaspiro[3.4]octane-8-carboxylic acid?
The IUPAC name of (8R)-7-[(2-methylpropan-2-yl)oxycarbonyl]-5-thia-7-azaspiro[3.4]octane-8-carboxylic acid (CID 71209548) is (8R)-7-[(2-methylpropan-2-yl)oxycarbonyl]-5-thia-7-azaspiro[3.4]octane-8-carboxylic acid.
What is the SMILES notation for (8R)-7-[(2-methylpropan-2-yl)oxycarbonyl]-5-thia-7-azaspiro[3.4]octane-8-carboxylic acid?
The canonical SMILES for (8R)-7-[(2-methylpropan-2-yl)oxycarbonyl]-5-thia-7-azaspiro[3.4]octane-8-carboxylic acid is CC(C)(C)OC(=O)N1CSC2(CCC2)[C@H]1C(=O)O.
What is the InChIKey of (8R)-7-[(2-methylpropan-2-yl)oxycarbonyl]-5-thia-7-azaspiro[3.4]octane-8-carboxylic acid?
The InChIKey is YMAKSKBFPYYMSC-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H19NO4S/c1-11(2,3)17-10(16)13-7-18-12(5-4-6-12)8(13)9(14)15/h8H,4-7H2,1-3H3,(H,14,15)/t8-/m1/s1.
What are the key properties of (8R)-7-[(2-methylpropan-2-yl)oxycarbonyl]-5-thia-7-azaspiro[3.4]octane-8-carboxylic acid?
(8R)-7-[(2-methylpropan-2-yl)oxycarbonyl]-5-thia-7-azaspiro[3.4]octane-8-carboxylic acid has a molecular weight of 273.35 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-7-[(2-methylpropan-2-yl)oxycarbonyl]-5-thia-7-azaspiro[3.4]octane-8-carboxylic acid is sourced from PubChem (CID 71209548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).