4-(1-methylcyclopropyl)oxybutanoic acid

C8H14O3 — CID 156904145

IUPAC4-(1-methylcyclopropyl)oxybutanoic acid
SMILESCC1(OCCCC(=O)O)CC1
InChIInChI=1S/C8H14O3/c1-8(4-5-8)11-6-2-3-7(9)10/h2-6H2,1H3,(H,9,10)
InChIKeyDFMFQYQWAUJOJU-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.42
Rot. Bonds5

About 4-(1-methylcyclopropyl)oxybutanoic acid

4-(1-methylcyclopropyl)oxybutanoic acid (PubChem CID 156904145) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 4-(1-methylcyclopropyl)oxybutanoic acid.

Molecular Properties

Compound Name4-(1-methylcyclopropyl)oxybutanoic acid
PubChem CID156904145
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name4-(1-methylcyclopropyl)oxybutanoic acid
SMILESCC1(OCCCC(=O)O)CC1
InChIInChI=1S/C8H14O3/c1-8(4-5-8)11-6-2-3-7(9)10/h2-6H2,1H3,(H,9,10)
InChIKeyDFMFQYQWAUJOJU-UHFFFAOYSA-N
XLogP1.42
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxybutanoic acid
CID 59891522
gold;heptanedioic acid
CID 174896169
4-acetyloxybutanoic acid;3,3-dimethylaziridin-2-one
CID 138698588
CID 101128218
CID 101128218
5-[(1-methylcyclopropyl)amino]pentanoic acid
CID 103263978
pentanoic acid;stannane
CID 173249748
hexanedioic acid;tris([1-(hydroxymethyl)cyclodecyl]methanol)
CID 175890022
4-(3-methoxypropoxy)butanoic acid
CID 60918159
4-methylsulfonyloxybutanoic acid
CID 19373983
4-aminooxybutanoic acid;hydrochloride
CID 71361272
4-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]butanoic acid
CID 75202538
8-(3-carboxypropoxy)octanoic acid
CID 154155651

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylcyclopropyl)oxybutanoic acid?
The IUPAC name of 4-(1-methylcyclopropyl)oxybutanoic acid (CID 156904145) is 4-(1-methylcyclopropyl)oxybutanoic acid.
What is the SMILES notation for 4-(1-methylcyclopropyl)oxybutanoic acid?
The canonical SMILES for 4-(1-methylcyclopropyl)oxybutanoic acid is CC1(OCCCC(=O)O)CC1.
What is the InChIKey of 4-(1-methylcyclopropyl)oxybutanoic acid?
The InChIKey is DFMFQYQWAUJOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-8(4-5-8)11-6-2-3-7(9)10/h2-6H2,1H3,(H,9,10).
What are the key properties of 4-(1-methylcyclopropyl)oxybutanoic acid?
4-(1-methylcyclopropyl)oxybutanoic acid has a molecular weight of 158.20 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylcyclopropyl)oxybutanoic acid is sourced from PubChem (CID 156904145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).