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

C5H8O2 — CID 6995705

IUPACtrans-(1R,2R)-2-methylcyclopropane-1-carboxylic acid
SMILESC[C@@H]1C[C@H]1C(=O)O
InChIInChI=1S/C5H8O2/c1-3-2-4(3)5(6)7/h3-4H,2H2,1H3,(H,6,7)/t3-,4-/m1/s1
InChIKeyAYEGPMGNMOIHDL-QWWZWVQMSA-N
MW100.12 g/mol
LogP0.73
Rot. Bonds1

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

trans-(1R,2R)-2-methylcyclopropane-1-carboxylic acid (PubChem CID 6995705) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol. Its IUPAC name is trans-(1R,2R)-2-methylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-methylcyclopropane-1-carboxylic acid
PubChem CID6995705
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Nametrans-(1R,2R)-2-methylcyclopropane-1-carboxylic acid
SMILESC[C@@H]1C[C@H]1C(=O)O
InChIInChI=1S/C5H8O2/c1-3-2-4(3)5(6)7/h3-4H,2H2,1H3,(H,6,7)/t3-,4-/m1/s1
InChIKeyAYEGPMGNMOIHDL-QWWZWVQMSA-N
XLogP0.73
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-methylcyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-methylcyclopropane-1-carboxylic acid (CID 6995705) is trans-(1R,2R)-2-methylcyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-methylcyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-methylcyclopropane-1-carboxylic acid is C[C@@H]1C[C@H]1C(=O)O.
What is the InChIKey of trans-(1R,2R)-2-methylcyclopropane-1-carboxylic acid?
The InChIKey is AYEGPMGNMOIHDL-QWWZWVQMSA-N. The full InChI is InChI=1S/C5H8O2/c1-3-2-4(3)5(6)7/h3-4H,2H2,1H3,(H,6,7)/t3-,4-/m1/s1.
What are the key properties of trans-(1R,2R)-2-methylcyclopropane-1-carboxylic acid?
trans-(1R,2R)-2-methylcyclopropane-1-carboxylic acid has a molecular weight of 100.12 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-methylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 6995705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).