methyl 3-(2-cyclopropylethoxy)propanoate

C9H16O3 — CID 106199265

IUPACmethyl 3-(2-cyclopropylethoxy)propanoate
SMILESCOC(=O)CCOCCC1CC1
InChIInChI=1S/C9H16O3/c1-11-9(10)5-7-12-6-4-8-2-3-8/h8H,2-7H2,1H3
InChIKeyAELCEHAIYARGQG-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.37
Rot. Bonds6

About methyl 3-(2-cyclopropylethoxy)propanoate

methyl 3-(2-cyclopropylethoxy)propanoate (PubChem CID 106199265) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is methyl 3-(2-cyclopropylethoxy)propanoate.

Molecular Properties

Compound Namemethyl 3-(2-cyclopropylethoxy)propanoate
PubChem CID106199265
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Namemethyl 3-(2-cyclopropylethoxy)propanoate
SMILESCOC(=O)CCOCCC1CC1
InChIInChI=1S/C9H16O3/c1-11-9(10)5-7-12-6-4-8-2-3-8/h8H,2-7H2,1H3
InChIKeyAELCEHAIYARGQG-UHFFFAOYSA-N
XLogP1.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(2-cyclobutylethoxy)propanoate
CID 106199365
methyl 2-(2-cyclobutylethoxy)acetate
CID 106199331
methyl 4-(2-pyrrolidin-3-ylethoxy)butanoate
CID 106940991
methyl 4-(cyclopropylmethoxy)butanoate
CID 43378160
methyl 3-(2-piperidin-2-ylethoxy)propanoate;hydrochloride
CID 56830628
methyl 2-amino-4-(2-cyclopropylethoxy)butanoate
CID 106204239
3-[2-[2-[2-[2-[2-[2-[2-[2-(3-methoxy-3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 172894169
methyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 100910535
methyl 3-(oxan-4-yl)propanoate
CID 55296577
methyl 3-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]propanoate
CID 139594409
methyl 3-(10,10,10-trifluorodecoxy)propanoate
CID 151180668
methyl 3-[2,2-bis(3-hydroxypropoxymethyl)-3-(3-methoxy-3-oxopropoxy)propoxy]propanoate;hydrate
CID 161390165

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-cyclopropylethoxy)propanoate?
The IUPAC name of methyl 3-(2-cyclopropylethoxy)propanoate (CID 106199265) is methyl 3-(2-cyclopropylethoxy)propanoate.
What is the SMILES notation for methyl 3-(2-cyclopropylethoxy)propanoate?
The canonical SMILES for methyl 3-(2-cyclopropylethoxy)propanoate is COC(=O)CCOCCC1CC1.
What is the InChIKey of methyl 3-(2-cyclopropylethoxy)propanoate?
The InChIKey is AELCEHAIYARGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-11-9(10)5-7-12-6-4-8-2-3-8/h8H,2-7H2,1H3.
What are the key properties of methyl 3-(2-cyclopropylethoxy)propanoate?
methyl 3-(2-cyclopropylethoxy)propanoate has a molecular weight of 172.22 g/mol, XLogP of 1.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-cyclopropylethoxy)propanoate is sourced from PubChem (CID 106199265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).