(2S)-2-cyclobutylheptanoic acid

C11H20O2 — CID 99988049

IUPAC(2S)-2-cyclobutylheptanoic acid
SMILESCCCCC[C@H](C(=O)O)C1CCC1
InChIInChI=1S/C11H20O2/c1-2-3-4-8-10(11(12)13)9-6-5-7-9/h9-10H,2-8H2,1H3,(H,12,13)/t10-/m0/s1
InChIKeyRCFLBONGJXBZHP-JTQLQIEISA-N
MW184.28 g/mol
LogP3.07
Rot. Bonds6

About (2S)-2-cyclobutylheptanoic acid

(2S)-2-cyclobutylheptanoic acid (PubChem CID 99988049) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (2S)-2-cyclobutylheptanoic acid.

Molecular Properties

Compound Name(2S)-2-cyclobutylheptanoic acid
PubChem CID99988049
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(2S)-2-cyclobutylheptanoic acid
SMILESCCCCC[C@H](C(=O)O)C1CCC1
InChIInChI=1S/C11H20O2/c1-2-3-4-8-10(11(12)13)9-6-5-7-9/h9-10H,2-8H2,1H3,(H,12,13)/t10-/m0/s1
InChIKeyRCFLBONGJXBZHP-JTQLQIEISA-N
XLogP3.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.07
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

2-cyclopentyltridecanoic acid
CID 22665117
2-cyclobutylhexanoic acid
CID 102568246
2-cyclohexyldecanoic acid
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2-cyclopropylnonanoic acid
CID 139682006
2-cyclopropylhexadecanoic acid
CID 67041212
2-(3-chlorocyclohexyl)tetradecanoic acid
CID 57003487
2-(1-methylpiperidin-4-yl)hexanoic acid
CID 174928941
2-cyclohexyl-4-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]butanoic acid
CID 160562637
2-(1-propylpiperidin-4-yl)hexanoic acid
CID 142749143
1,2-dicyclohexylhexadecan-1-one
CID 142760088
2-cyclopentyl-5-methylsulfonylpentanoic acid
CID 112569238
2-cyclohexyl-12-hydroxyoctadecanamide
CID 174957428

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclobutylheptanoic acid?
The IUPAC name of (2S)-2-cyclobutylheptanoic acid (CID 99988049) is (2S)-2-cyclobutylheptanoic acid.
What is the SMILES notation for (2S)-2-cyclobutylheptanoic acid?
The canonical SMILES for (2S)-2-cyclobutylheptanoic acid is CCCCC[C@H](C(=O)O)C1CCC1.
What is the InChIKey of (2S)-2-cyclobutylheptanoic acid?
The InChIKey is RCFLBONGJXBZHP-JTQLQIEISA-N. The full InChI is InChI=1S/C11H20O2/c1-2-3-4-8-10(11(12)13)9-6-5-7-9/h9-10H,2-8H2,1H3,(H,12,13)/t10-/m0/s1.
What are the key properties of (2S)-2-cyclobutylheptanoic acid?
(2S)-2-cyclobutylheptanoic acid has a molecular weight of 184.28 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclobutylheptanoic acid is sourced from PubChem (CID 99988049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).