3-[(1R,2R)-2-heptylcyclopropyl]propanoic acid

C13H24O2 — CID 70698462

IUPAC3-[(1R,2R)-2-heptylcyclopropyl]propanoic acid
SMILESCCCCCCC[C@@H]1C[C@H]1CCC(=O)O
InChIInChI=1S/C13H24O2/c1-2-3-4-5-6-7-11-10-12(11)8-9-13(14)15/h11-12H,2-10H2,1H3,(H,14,15)/t11-,12-/m1/s1
InChIKeyRLZULRFRISISCU-VXGBXAGGSA-N
MW212.33 g/mol
LogP3.85
Rot. Bonds9

About 3-[(1R,2R)-2-heptylcyclopropyl]propanoic acid

3-[(1R,2R)-2-heptylcyclopropyl]propanoic acid (PubChem CID 70698462) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 3-[(1R,2R)-2-heptylcyclopropyl]propanoic acid.

Molecular Properties

Compound Name3-[(1R,2R)-2-heptylcyclopropyl]propanoic acid
PubChem CID70698462
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name3-[(1R,2R)-2-heptylcyclopropyl]propanoic acid
SMILESCCCCCCC[C@@H]1C[C@H]1CCC(=O)O
InChIInChI=1S/C13H24O2/c1-2-3-4-5-6-7-11-10-12(11)8-9-13(14)15/h11-12H,2-10H2,1H3,(H,14,15)/t11-,12-/m1/s1
InChIKeyRLZULRFRISISCU-VXGBXAGGSA-N
XLogP3.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R,2R)-2-heptylcyclopropyl]propanoic acid?
The IUPAC name of 3-[(1R,2R)-2-heptylcyclopropyl]propanoic acid (CID 70698462) is 3-[(1R,2R)-2-heptylcyclopropyl]propanoic acid.
What is the SMILES notation for 3-[(1R,2R)-2-heptylcyclopropyl]propanoic acid?
The canonical SMILES for 3-[(1R,2R)-2-heptylcyclopropyl]propanoic acid is CCCCCCC[C@@H]1C[C@H]1CCC(=O)O.
What is the InChIKey of 3-[(1R,2R)-2-heptylcyclopropyl]propanoic acid?
The InChIKey is RLZULRFRISISCU-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H24O2/c1-2-3-4-5-6-7-11-10-12(11)8-9-13(14)15/h11-12H,2-10H2,1H3,(H,14,15)/t11-,12-/m1/s1.
What are the key properties of 3-[(1R,2R)-2-heptylcyclopropyl]propanoic acid?
3-[(1R,2R)-2-heptylcyclopropyl]propanoic acid has a molecular weight of 212.33 g/mol, XLogP of 3.85, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,2R)-2-heptylcyclopropyl]propanoic acid is sourced from PubChem (CID 70698462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).