methyl 2-cyclopropyloxybutanoate

C8H14O3 — CID 175037887

IUPACmethyl 2-cyclopropyloxybutanoate
SMILESCCC(OC1CC1)C(=O)OC
InChIInChI=1S/C8H14O3/c1-3-7(8(9)10-2)11-6-4-5-6/h6-7H,3-5H2,1-2H3
InChIKeyBQYGQPSMAFCFKH-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.12
Rot. Bonds4

About methyl 2-cyclopropyloxybutanoate

methyl 2-cyclopropyloxybutanoate (PubChem CID 175037887) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is methyl 2-cyclopropyloxybutanoate.

Molecular Properties

Compound Namemethyl 2-cyclopropyloxybutanoate
PubChem CID175037887
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Namemethyl 2-cyclopropyloxybutanoate
SMILESCCC(OC1CC1)C(=O)OC
InChIInChI=1S/C8H14O3/c1-3-7(8(9)10-2)11-6-4-5-6/h6-7H,3-5H2,1-2H3
InChIKeyBQYGQPSMAFCFKH-UHFFFAOYSA-N
XLogP1.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-cyclopropyloxybutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(4,4-dimethylcyclohexyl)oxybutanoate
CID 114340349
2-(4-methylcyclohexyl)oxybutanoic acid
CID 43808830
2-(3,4-dimethylcyclohexyl)oxybutanehydrazide
CID 64739542
methyl 2-(oxetan-3-yloxy)hexanoate
CID 102605289
(2S)-2-cyclopropyloxy-3-methylpentanoic acid
CID 170443442
2-(2-cyclohexyloxybutanoylamino)acetic acid
CID 119350338
N-(2-amino-1-cyclopropylethyl)-2-cyclohexyloxybutanamide
CID 119615946
diethyl 2-cyclohexyloxybutanedioate
CID 139989318
methyl (2S)-2-cyclobutyloxypropanoate
CID 103337973
2-cyclohexyloxy-N-piperidin-1-ylbutanamide
CID 102560917
ethyl 2-(2-aminocyclopentyl)oxybutanoate
CID 106940805
ethyl 2-piperidin-4-yloxypentanoate
CID 106939245

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyloxybutanoate?
The IUPAC name of methyl 2-cyclopropyloxybutanoate (CID 175037887) is methyl 2-cyclopropyloxybutanoate.
What is the SMILES notation for methyl 2-cyclopropyloxybutanoate?
The canonical SMILES for methyl 2-cyclopropyloxybutanoate is CCC(OC1CC1)C(=O)OC.
What is the InChIKey of methyl 2-cyclopropyloxybutanoate?
The InChIKey is BQYGQPSMAFCFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-3-7(8(9)10-2)11-6-4-5-6/h6-7H,3-5H2,1-2H3.
What are the key properties of methyl 2-cyclopropyloxybutanoate?
methyl 2-cyclopropyloxybutanoate has a molecular weight of 158.20 g/mol, XLogP of 1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyloxybutanoate is sourced from PubChem (CID 175037887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).