3-(2-heptylcyclopropyl)propanoic acid

C13H24O2 — CID 75293982

IUPAC3-(2-heptylcyclopropyl)propanoic acid
SMILESCCCCCCCC1CC1CCC(=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)
InChIKeyRLZULRFRISISCU-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.85
Rot. Bonds9

About 3-(2-heptylcyclopropyl)propanoic acid

3-(2-heptylcyclopropyl)propanoic acid (PubChem CID 75293982) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 3-(2-heptylcyclopropyl)propanoic acid.

Molecular Properties

Compound Name3-(2-heptylcyclopropyl)propanoic acid
PubChem CID75293982
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name3-(2-heptylcyclopropyl)propanoic acid
SMILESCCCCCCCC1CC1CCC(=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)
InChIKeyRLZULRFRISISCU-UHFFFAOYSA-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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Related Compounds

8-[(1R,2S)-2-hexylcyclopropyl]octanoic acid
CID 14345320
10-(2-butylcyclopropyl)decanoic acid
CID 71374776
3-(2-octylcyclopentyl)propanoic acid
CID 57357948
2-[(1R,2R)-2-hexylcyclopropyl]acetic acid
CID 91607184
3-[bis[8-(2-octylcyclopropyl)octyl]amino]propanoic acid
CID 129218068
acetic acid;2-(2-octylcyclopropyl)acetic acid
CID 67849608
1,2-dioctylcyclopropane
CID 21337627
1-hexyl-2-undecylcyclopropane
CID 58049498
10-[(1R,2S)-2-hexylcyclopropyl]decanamide
CID 90478669
11-(2-hexylcyclopropyl)undecan-2-one
CID 20746928
7-(4-octyloxolan-3-yl)heptanoic acid
CID 53463626
1-propyl-2-undecylcyclopropane
CID 123636027

Frequently Asked Questions

What is the IUPAC name of 3-(2-heptylcyclopropyl)propanoic acid?
The IUPAC name of 3-(2-heptylcyclopropyl)propanoic acid (CID 75293982) is 3-(2-heptylcyclopropyl)propanoic acid.
What is the SMILES notation for 3-(2-heptylcyclopropyl)propanoic acid?
The canonical SMILES for 3-(2-heptylcyclopropyl)propanoic acid is CCCCCCCC1CC1CCC(=O)O.
What is the InChIKey of 3-(2-heptylcyclopropyl)propanoic acid?
The InChIKey is RLZULRFRISISCU-UHFFFAOYSA-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).
What are the key properties of 3-(2-heptylcyclopropyl)propanoic acid?
3-(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-(2-heptylcyclopropyl)propanoic acid is sourced from PubChem (CID 75293982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).