(2S)-2-methylcyclopropane-1-carboxylic acid

C5H8O2 — CID 70278837

IUPAC(2S)-2-methylcyclopropane-1-carboxylic acid
SMILESC[C@H]1CC1C(=O)O
InChIInChI=1S/C5H8O2/c1-3-2-4(3)5(6)7/h3-4H,2H2,1H3,(H,6,7)/t3-,4?/m0/s1
InChIKeyAYEGPMGNMOIHDL-WUCPZUCCSA-N
MW100.12 g/mol
LogP0.73
Rot. Bonds1

About (2S)-2-methylcyclopropane-1-carboxylic acid

(2S)-2-methylcyclopropane-1-carboxylic acid (PubChem CID 70278837) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol. Its IUPAC name is (2S)-2-methylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-methylcyclopropane-1-carboxylic acid
PubChem CID70278837
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Name(2S)-2-methylcyclopropane-1-carboxylic acid
SMILESC[C@H]1CC1C(=O)O
InChIInChI=1S/C5H8O2/c1-3-2-4(3)5(6)7/h3-4H,2H2,1H3,(H,6,7)/t3-,4?/m0/s1
InChIKeyAYEGPMGNMOIHDL-WUCPZUCCSA-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 (2S)-2-methylcyclopropane-1-carboxylic acid?
The IUPAC name of (2S)-2-methylcyclopropane-1-carboxylic acid (CID 70278837) is (2S)-2-methylcyclopropane-1-carboxylic acid.
What is the SMILES notation for (2S)-2-methylcyclopropane-1-carboxylic acid?
The canonical SMILES for (2S)-2-methylcyclopropane-1-carboxylic acid is C[C@H]1CC1C(=O)O.
What is the InChIKey of (2S)-2-methylcyclopropane-1-carboxylic acid?
The InChIKey is AYEGPMGNMOIHDL-WUCPZUCCSA-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?/m0/s1.
What are the key properties of (2S)-2-methylcyclopropane-1-carboxylic acid?
(2S)-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 (2S)-2-methylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 70278837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).