2,3-bis(methoxycarbonyl)cyclopropane-1-carboxylic acid

C8H10O6 — CID 139621467

IUPAC2,3-bis(methoxycarbonyl)cyclopropane-1-carboxylic acid
SMILESCOC(=O)C1C(C(=O)O)C1C(=O)OC
InChIInChI=1S/C8H10O6/c1-13-7(11)4-3(6(9)10)5(4)8(12)14-2/h3-5H,1-2H3,(H,9,10)
InChIKeyGOAVZTRCNJRXJD-UHFFFAOYSA-N
MW202.16 g/mol
LogP-0.72
Rot. Bonds3

About 2,3-bis(methoxycarbonyl)cyclopropane-1-carboxylic acid

2,3-bis(methoxycarbonyl)cyclopropane-1-carboxylic acid (PubChem CID 139621467) has the molecular formula C8H10O6 and a molecular weight of 202.16 g/mol. Its IUPAC name is 2,3-bis(methoxycarbonyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2,3-bis(methoxycarbonyl)cyclopropane-1-carboxylic acid
PubChem CID139621467
Molecular FormulaC8H10O6
Molecular Weight202.16 g/mol
Exact Mass202.05
IUPAC Name2,3-bis(methoxycarbonyl)cyclopropane-1-carboxylic acid
SMILESCOC(=O)C1C(C(=O)O)C1C(=O)OC
InChIInChI=1S/C8H10O6/c1-13-7(11)4-3(6(9)10)5(4)8(12)14-2/h3-5H,1-2H3,(H,9,10)
InChIKeyGOAVZTRCNJRXJD-UHFFFAOYSA-N
XLogP-0.72
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
Trimethyl 1,2,3-propanetricarboxylate
CID 581486
3-(Ethoxycarbonyl)pentanedioic acid
CID 122714131
5-Methoxy-3-methyl-5-oxopentanoic acid
CID 317555
(1R,2S)-2-(methoxycarbonyl)cyclopropane-1-carboxylic acid
CID 12510973
Diethyl cyclopropane-1,2-dicarboxylate
CID 89350
1-Methyl (1R,2S)-1,2-cyclopropanedicarboxylate
CID 10975600
rac-(1R,2R)-2-(methoxycarbonyl)cyclopropane-1-carboxylic acid
CID 12510972
rac-(1R,3S)-3-(methoxycarbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 13041473

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(methoxycarbonyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2,3-bis(methoxycarbonyl)cyclopropane-1-carboxylic acid (CID 139621467) is 2,3-bis(methoxycarbonyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2,3-bis(methoxycarbonyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2,3-bis(methoxycarbonyl)cyclopropane-1-carboxylic acid is COC(=O)C1C(C(=O)O)C1C(=O)OC.
What is the InChIKey of 2,3-bis(methoxycarbonyl)cyclopropane-1-carboxylic acid?
The InChIKey is GOAVZTRCNJRXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O6/c1-13-7(11)4-3(6(9)10)5(4)8(12)14-2/h3-5H,1-2H3,(H,9,10).
What are the key properties of 2,3-bis(methoxycarbonyl)cyclopropane-1-carboxylic acid?
2,3-bis(methoxycarbonyl)cyclopropane-1-carboxylic acid has a molecular weight of 202.16 g/mol, XLogP of -0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(methoxycarbonyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 139621467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).