cis-(1S,2R)-1-(4-methylphenyl)cyclopropane-1,2-dicarboxylic acid

C12H12O4 — CID 12719796

IUPACcis-(1S,2R)-1-(4-methylphenyl)cyclopropane-1,2-dicarboxylic acid
SMILESCc1ccc([C@]2(C(=O)O)C[C@H]2C(=O)O)cc1
InChIInChI=1S/C12H12O4/c1-7-2-4-8(5-3-7)12(11(15)16)6-9(12)10(13)14/h2-5,9H,6H2,1H3,(H,13,14)(H,15,16)/t9-,12+/m0/s1
InChIKeyRIDXNPOAOROPNF-JOYOIKCWSA-N
MW220.22 g/mol
LogP1.42
Rot. Bonds3

About cis-(1S,2R)-1-(4-methylphenyl)cyclopropane-1,2-dicarboxylic acid

cis-(1S,2R)-1-(4-methylphenyl)cyclopropane-1,2-dicarboxylic acid (PubChem CID 12719796) has the molecular formula C12H12O4 and a molecular weight of 220.22 g/mol. Its IUPAC name is cis-(1S,2R)-1-(4-methylphenyl)cyclopropane-1,2-dicarboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-1-(4-methylphenyl)cyclopropane-1,2-dicarboxylic acid
PubChem CID12719796
Molecular FormulaC12H12O4
Molecular Weight220.22 g/mol
Exact Mass220.07
IUPAC Namecis-(1S,2R)-1-(4-methylphenyl)cyclopropane-1,2-dicarboxylic acid
SMILESCc1ccc([C@]2(C(=O)O)C[C@H]2C(=O)O)cc1
InChIInChI=1S/C12H12O4/c1-7-2-4-8(5-3-7)12(11(15)16)6-9(12)10(13)14/h2-5,9H,6H2,1H3,(H,13,14)(H,15,16)/t9-,12+/m0/s1
InChIKeyRIDXNPOAOROPNF-JOYOIKCWSA-N
XLogP1.42
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-1-(4-methylphenyl)cyclopropane-1,2-dicarboxylic acid?
The IUPAC name of cis-(1S,2R)-1-(4-methylphenyl)cyclopropane-1,2-dicarboxylic acid (CID 12719796) is cis-(1S,2R)-1-(4-methylphenyl)cyclopropane-1,2-dicarboxylic acid.
What is the SMILES notation for cis-(1S,2R)-1-(4-methylphenyl)cyclopropane-1,2-dicarboxylic acid?
The canonical SMILES for cis-(1S,2R)-1-(4-methylphenyl)cyclopropane-1,2-dicarboxylic acid is Cc1ccc([C@]2(C(=O)O)C[C@H]2C(=O)O)cc1.
What is the InChIKey of cis-(1S,2R)-1-(4-methylphenyl)cyclopropane-1,2-dicarboxylic acid?
The InChIKey is RIDXNPOAOROPNF-JOYOIKCWSA-N. The full InChI is InChI=1S/C12H12O4/c1-7-2-4-8(5-3-7)12(11(15)16)6-9(12)10(13)14/h2-5,9H,6H2,1H3,(H,13,14)(H,15,16)/t9-,12+/m0/s1.
What are the key properties of cis-(1S,2R)-1-(4-methylphenyl)cyclopropane-1,2-dicarboxylic acid?
cis-(1S,2R)-1-(4-methylphenyl)cyclopropane-1,2-dicarboxylic acid has a molecular weight of 220.22 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-1-(4-methylphenyl)cyclopropane-1,2-dicarboxylic acid is sourced from PubChem (CID 12719796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).