2-methoxycarbonyl-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid

C11H16O6 — CID 155822903

IUPAC2-methoxycarbonyl-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid
SMILESCOC(=O)C1C(C(=O)O)C1C(=O)OC(C)(C)C
InChIInChI=1S/C11H16O6/c1-11(2,3)17-10(15)7-5(8(12)13)6(7)9(14)16-4/h5-7H,1-4H3,(H,12,13)
InChIKeyHZGLPQTXOQTKHY-UHFFFAOYSA-N
MW244.24 g/mol
LogP0.45
Rot. Bonds3

About 2-methoxycarbonyl-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid

2-methoxycarbonyl-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid (PubChem CID 155822903) has the molecular formula C11H16O6 and a molecular weight of 244.24 g/mol. Its IUPAC name is 2-methoxycarbonyl-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-methoxycarbonyl-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid
PubChem CID155822903
Molecular FormulaC11H16O6
Molecular Weight244.24 g/mol
Exact Mass244.09
IUPAC Name2-methoxycarbonyl-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid
SMILESCOC(=O)C1C(C(=O)O)C1C(=O)OC(C)(C)C
InChIInChI=1S/C11H16O6/c1-11(2,3)17-10(15)7-5(8(12)13)6(7)9(14)16-4/h5-7H,1-4H3,(H,12,13)
InChIKeyHZGLPQTXOQTKHY-UHFFFAOYSA-N
XLogP0.45
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxycarbonyl-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-methoxycarbonyl-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid (CID 155822903) is 2-methoxycarbonyl-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-methoxycarbonyl-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-methoxycarbonyl-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid is COC(=O)C1C(C(=O)O)C1C(=O)OC(C)(C)C.
What is the InChIKey of 2-methoxycarbonyl-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid?
The InChIKey is HZGLPQTXOQTKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O6/c1-11(2,3)17-10(15)7-5(8(12)13)6(7)9(14)16-4/h5-7H,1-4H3,(H,12,13).
What are the key properties of 2-methoxycarbonyl-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid?
2-methoxycarbonyl-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid has a molecular weight of 244.24 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxycarbonyl-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 155822903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).