(2R)-cyclobutane-1,2-dicarboxylic acid

C6H8O4 — CID 135193426

IUPAC(2R)-cyclobutane-1,2-dicarboxylic acid
SMILESO=C(O)C1CC[C@H]1C(=O)O
InChIInChI=1S/C6H8O4/c7-5(8)3-1-2-4(3)6(9)10/h3-4H,1-2H2,(H,7,8)(H,9,10)/t3-,4?/m1/s1
InChIKeySUSAGCZZQKACKE-SYPWQXSBSA-N
MW144.13 g/mol
LogP0.18
Rot. Bonds2

About (2R)-cyclobutane-1,2-dicarboxylic acid

(2R)-cyclobutane-1,2-dicarboxylic acid (PubChem CID 135193426) has the molecular formula C6H8O4 and a molecular weight of 144.13 g/mol. Its IUPAC name is (2R)-cyclobutane-1,2-dicarboxylic acid.

Molecular Properties

Compound Name(2R)-cyclobutane-1,2-dicarboxylic acid
PubChem CID135193426
Molecular FormulaC6H8O4
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Name(2R)-cyclobutane-1,2-dicarboxylic acid
SMILESO=C(O)C1CC[C@H]1C(=O)O
InChIInChI=1S/C6H8O4/c7-5(8)3-1-2-4(3)6(9)10/h3-4H,1-2H2,(H,7,8)(H,9,10)/t3-,4?/m1/s1
InChIKeySUSAGCZZQKACKE-SYPWQXSBSA-N
XLogP0.18
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2S)-cyclopropane-1,2-dicarboxylic acid
CID 726455
trans-(1R,2R)-cyclohexane-1,2-dicarboxylic acid;hydrochloride
CID 70535628
(1R,2S,4R)-4-methylcyclohexane-1,2-dicarboxylic acid
CID 92643804
4-aminocyclohexane-1,2-dicarboxylic acid
CID 22559921
(1R,2S,4S,5S)-4,5-dibromocyclohexane-1,2-dicarboxylic acid
CID 7500869
5-[4,5-dicarboxy-2-(2,4,5-tricarboxycycloheptanecarbonyl)oxycarbonylcycloheptanecarbonyl]oxycarbonylcycloheptane-1,2,4-tricarboxylic acid
CID 178076206
(2S)-2-methylcyclopropane-1-carboxylic acid
CID 70278837
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3,6,7-tetracarboxylic acid
CID 67173351
trans-(1R,2R)-2-methylcyclopropane-1-carboxylic acid
CID 6995705
(3S)-cyclopentane-1,3-dicarboxylic acid
CID 138481198
calcium;cis-(1S,2R)-cyclohexane-1,2-dicarboxylic acid;hydride;hydrate
CID 175099769
acetic acid;cyclohexane-1,2-dicarboxylic acid
CID 66603349

Frequently Asked Questions

What is the IUPAC name of (2R)-cyclobutane-1,2-dicarboxylic acid?
The IUPAC name of (2R)-cyclobutane-1,2-dicarboxylic acid (CID 135193426) is (2R)-cyclobutane-1,2-dicarboxylic acid.
What is the SMILES notation for (2R)-cyclobutane-1,2-dicarboxylic acid?
The canonical SMILES for (2R)-cyclobutane-1,2-dicarboxylic acid is O=C(O)C1CC[C@H]1C(=O)O.
What is the InChIKey of (2R)-cyclobutane-1,2-dicarboxylic acid?
The InChIKey is SUSAGCZZQKACKE-SYPWQXSBSA-N. The full InChI is InChI=1S/C6H8O4/c7-5(8)3-1-2-4(3)6(9)10/h3-4H,1-2H2,(H,7,8)(H,9,10)/t3-,4?/m1/s1.
What are the key properties of (2R)-cyclobutane-1,2-dicarboxylic acid?
(2R)-cyclobutane-1,2-dicarboxylic acid has a molecular weight of 144.13 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-cyclobutane-1,2-dicarboxylic acid is sourced from PubChem (CID 135193426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).