trans-(1S,2S)-1-methylcyclopropane-1,2-dicarboxylic acid

C6H8O4 — CID 919319

IUPACtrans-(1S,2S)-1-methylcyclopropane-1,2-dicarboxylic acid
SMILESC[C@]1(C(=O)O)C[C@@H]1C(=O)O
InChIInChI=1S/C6H8O4/c1-6(5(9)10)2-3(6)4(7)8/h3H,2H2,1H3,(H,7,8)(H,9,10)/t3-,6+/m1/s1
InChIKeyCUXGZYHWQYTLKE-CVYQJGLWSA-N
MW144.13 g/mol
LogP0.18
Rot. Bonds2

About trans-(1S,2S)-1-methylcyclopropane-1,2-dicarboxylic acid

trans-(1S,2S)-1-methylcyclopropane-1,2-dicarboxylic acid (PubChem CID 919319) has the molecular formula C6H8O4 and a molecular weight of 144.13 g/mol. Its IUPAC name is trans-(1S,2S)-1-methylcyclopropane-1,2-dicarboxylic acid.

Molecular Properties

Compound Nametrans-(1S,2S)-1-methylcyclopropane-1,2-dicarboxylic acid
PubChem CID919319
Molecular FormulaC6H8O4
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Nametrans-(1S,2S)-1-methylcyclopropane-1,2-dicarboxylic acid
SMILESC[C@]1(C(=O)O)C[C@@H]1C(=O)O
InChIInChI=1S/C6H8O4/c1-6(5(9)10)2-3(6)4(7)8/h3H,2H2,1H3,(H,7,8)(H,9,10)/t3-,6+/m1/s1
InChIKeyCUXGZYHWQYTLKE-CVYQJGLWSA-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-1,2-Cyclopropanedicarboxylic acid
CID 726455
Cyclopropane-1,2-dicarboxylic acid
CID 136524
2-Methyl-1,2,3-propanetricarboxylic acid
CID 74119
rac-(1R,2S)-1-methylcyclopropane-1,2-dicarboxylic acid
CID 566659
3,3-Dimethyl-1,2-cyclopropanedicarboxylic acid
CID 263764
(1R,2S)-3,3-Dimethylcyclopropane-1,2-dicarboxylic acid
CID 21679072
rac-(1R,3S)-3-(methoxycarbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 13041473
1,2-Cyclopropanedicarboxylic acid, 3,3-dimethyl-, trans-
CID 12302487
1,2-Dimethylcyclopropane-1,2-dicarboxylic acid
CID 297191
Cyclopropane-1,1,2-tricarboxylic acid
CID 230123
(1S,2R)-1-methylcyclopropane-1,2-dicarboxylic acid
CID 919317
(1R,2R)-3,3-dimethylcyclopropane-1,2-dicarboxylic acid
CID 12302486

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-1-methylcyclopropane-1,2-dicarboxylic acid?
The IUPAC name of trans-(1S,2S)-1-methylcyclopropane-1,2-dicarboxylic acid (CID 919319) is trans-(1S,2S)-1-methylcyclopropane-1,2-dicarboxylic acid.
What is the SMILES notation for trans-(1S,2S)-1-methylcyclopropane-1,2-dicarboxylic acid?
The canonical SMILES for trans-(1S,2S)-1-methylcyclopropane-1,2-dicarboxylic acid is C[C@]1(C(=O)O)C[C@@H]1C(=O)O.
What is the InChIKey of trans-(1S,2S)-1-methylcyclopropane-1,2-dicarboxylic acid?
The InChIKey is CUXGZYHWQYTLKE-CVYQJGLWSA-N. The full InChI is InChI=1S/C6H8O4/c1-6(5(9)10)2-3(6)4(7)8/h3H,2H2,1H3,(H,7,8)(H,9,10)/t3-,6+/m1/s1.
What are the key properties of trans-(1S,2S)-1-methylcyclopropane-1,2-dicarboxylic acid?
trans-(1S,2S)-1-methylcyclopropane-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 trans-(1S,2S)-1-methylcyclopropane-1,2-dicarboxylic acid is sourced from PubChem (CID 919319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).