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

C5H6O4 — CID 726455

IUPACcis-(1R,2S)-cyclopropane-1,2-dicarboxylic acid
SMILESO=C(O)[C@H]1C[C@H]1C(=O)O
InChIInChI=1S/C5H6O4/c6-4(7)2-1-3(2)5(8)9/h2-3H,1H2,(H,6,7)(H,8,9)/t2-,3+
InChIKeyRLWFMZKPPHHHCB-WSOKHJQSSA-N
MW130.10 g/mol
LogP-0.21
Rot. Bonds2

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

cis-(1R,2S)-cyclopropane-1,2-dicarboxylic acid (PubChem CID 726455) has the molecular formula C5H6O4 and a molecular weight of 130.10 g/mol. Its IUPAC name is cis-(1R,2S)-cyclopropane-1,2-dicarboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-cyclopropane-1,2-dicarboxylic acid
PubChem CID726455
Molecular FormulaC5H6O4
Molecular Weight130.10 g/mol
Exact Mass130.03
IUPAC Namecis-(1R,2S)-cyclopropane-1,2-dicarboxylic acid
SMILESO=C(O)[C@H]1C[C@H]1C(=O)O
InChIInChI=1S/C5H6O4/c6-4(7)2-1-3(2)5(8)9/h2-3H,1H2,(H,6,7)(H,8,9)/t2-,3+
InChIKeyRLWFMZKPPHHHCB-WSOKHJQSSA-N
XLogP-0.21
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.10
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3,6,7-tetracarboxylic acid
CID 67173351
trans-(1R,2R)-2-carbamoylcyclopropane-1-carboxylic acid
CID 13039560
cis-(1R,2S)-2-carbamoylcyclopropane-1-carboxylic acid
CID 93311791
(2R)-cyclobutane-1,2-dicarboxylic acid
CID 135193426
trans-(1R,2R)-cyclopentane-1,2,3,4-tetracarboxylic acid
CID 54441949
(1R,2S,4R,5S)-4,5-dihydroxycyclohexane-1,2-dicarboxylic acid
CID 68905410
(1S,2S,4R,5R)-4,5-dimethylcyclohexane-1,2-dicarboxylic acid
CID 124821426
(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
2-propanoylcyclopropane-1-carboxylic acid
CID 68524876
2-(methylcarbamoyl)cyclopropane-1-carboxylic acid
CID 45084193
trans-(1R,2R)-2-methylcyclopropane-1-carboxylic acid
CID 6995705

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-cyclopropane-1,2-dicarboxylic acid?
The IUPAC name of cis-(1R,2S)-cyclopropane-1,2-dicarboxylic acid (CID 726455) is cis-(1R,2S)-cyclopropane-1,2-dicarboxylic acid.
What is the SMILES notation for cis-(1R,2S)-cyclopropane-1,2-dicarboxylic acid?
The canonical SMILES for cis-(1R,2S)-cyclopropane-1,2-dicarboxylic acid is O=C(O)[C@H]1C[C@H]1C(=O)O.
What is the InChIKey of cis-(1R,2S)-cyclopropane-1,2-dicarboxylic acid?
The InChIKey is RLWFMZKPPHHHCB-WSOKHJQSSA-N. The full InChI is InChI=1S/C5H6O4/c6-4(7)2-1-3(2)5(8)9/h2-3H,1H2,(H,6,7)(H,8,9)/t2-,3+.
What are the key properties of cis-(1R,2S)-cyclopropane-1,2-dicarboxylic acid?
cis-(1R,2S)-cyclopropane-1,2-dicarboxylic acid has a molecular weight of 130.10 g/mol, XLogP of -0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-cyclopropane-1,2-dicarboxylic acid is sourced from PubChem (CID 726455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).