trans-(1R,2R)-2-methoxycarbonylcyclopropane-1-carboxylic acid

C6H8O4 — CID 12510972

IUPACtrans-(1R,2R)-2-methoxycarbonylcyclopropane-1-carboxylic acid
SMILESCOC(=O)[C@@H]1C[C@H]1C(=O)O
InChIInChI=1S/C6H8O4/c1-10-6(9)4-2-3(4)5(7)8/h3-4H,2H2,1H3,(H,7,8)/t3-,4-/m1/s1
InChIKeyIRRAJLZEAOBJIV-QWWZWVQMSA-N
MW144.13 g/mol
LogP-0.12
Rot. Bonds2

About trans-(1R,2R)-2-methoxycarbonylcyclopropane-1-carboxylic acid

trans-(1R,2R)-2-methoxycarbonylcyclopropane-1-carboxylic acid (PubChem CID 12510972) has the molecular formula C6H8O4 and a molecular weight of 144.13 g/mol. Its IUPAC name is trans-(1R,2R)-2-methoxycarbonylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-methoxycarbonylcyclopropane-1-carboxylic acid
PubChem CID12510972
Molecular FormulaC6H8O4
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Nametrans-(1R,2R)-2-methoxycarbonylcyclopropane-1-carboxylic acid
SMILESCOC(=O)[C@@H]1C[C@H]1C(=O)O
InChIInChI=1S/C6H8O4/c1-10-6(9)4-2-3(4)5(7)8/h3-4H,2H2,1H3,(H,7,8)/t3-,4-/m1/s1
InChIKeyIRRAJLZEAOBJIV-QWWZWVQMSA-N
XLogP-0.12
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-1,2-Cyclopropanedicarboxylic acid
CID 726455
Cyclopropane-1,2-dicarboxylic acid
CID 136524
Dimethyl (1R,2S)-cyclopropane-1,2-dicarboxylate
CID 642979
1,2-Dimethyl cyclopropane-1,2-dicarboxylate
CID 2724542
Dimethyl trans-1,2-cyclopropanedicarboxylate
CID 6429599
(R)-1-Methyl hydrogen 3-methylglutarate
CID 6999733
5-Methoxy-3-methyl-5-oxopentanoic acid
CID 317555
Methyl (1R,2S)-2-(hydroxymethyl)cyclopropane-1-carboxylate
CID 11083913
(1R,2S)-2-(methoxycarbonyl)cyclopropane-1-carboxylic acid
CID 12510973
(1R,2S)-2-(acetoxymethyl)-1-fluoro-cyclopropanecarboxylic acid
CID 3011502
(1R,2R)-2-(acetoxymethyl)-1-fluoro-cyclopropanecarboxylic acid
CID 3011503
Diethyl cyclopropane-1,2-dicarboxylate
CID 89350

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-methoxycarbonylcyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-methoxycarbonylcyclopropane-1-carboxylic acid (CID 12510972) is trans-(1R,2R)-2-methoxycarbonylcyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-methoxycarbonylcyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-methoxycarbonylcyclopropane-1-carboxylic acid is COC(=O)[C@@H]1C[C@H]1C(=O)O.
What is the InChIKey of trans-(1R,2R)-2-methoxycarbonylcyclopropane-1-carboxylic acid?
The InChIKey is IRRAJLZEAOBJIV-QWWZWVQMSA-N. The full InChI is InChI=1S/C6H8O4/c1-10-6(9)4-2-3(4)5(7)8/h3-4H,2H2,1H3,(H,7,8)/t3-,4-/m1/s1.
What are the key properties of trans-(1R,2R)-2-methoxycarbonylcyclopropane-1-carboxylic acid?
trans-(1R,2R)-2-methoxycarbonylcyclopropane-1-carboxylic acid has a molecular weight of 144.13 g/mol, XLogP of -0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-methoxycarbonylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 12510972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).