ethyl 2-cyclopropyl-3-(3-methoxy-3-methylbutoxy)-2-(methylamino)propanoate

C15H29NO4 — CID 106666798

IUPACethyl 2-cyclopropyl-3-(3-methoxy-3-methylbutoxy)-2-(methylamino)propanoate
SMILESCCOC(=O)C(COCCC(C)(C)OC)(NC)C1CC1
InChIInChI=1S/C15H29NO4/c1-6-20-13(17)15(16-4,12-7-8-12)11-19-10-9-14(2,3)18-5/h12,16H,6-11H2,1-5H3
InChIKeyWJOKKOWPWGTYOY-UHFFFAOYSA-N
MW287.40 g/mol
LogP1.75
Rot. Bonds10

About ethyl 2-cyclopropyl-3-(3-methoxy-3-methylbutoxy)-2-(methylamino)propanoate

ethyl 2-cyclopropyl-3-(3-methoxy-3-methylbutoxy)-2-(methylamino)propanoate (PubChem CID 106666798) has the molecular formula C15H29NO4 and a molecular weight of 287.40 g/mol. Its IUPAC name is ethyl 2-cyclopropyl-3-(3-methoxy-3-methylbutoxy)-2-(methylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-cyclopropyl-3-(3-methoxy-3-methylbutoxy)-2-(methylamino)propanoate
PubChem CID106666798
Molecular FormulaC15H29NO4
Molecular Weight287.40 g/mol
Exact Mass287.21
IUPAC Nameethyl 2-cyclopropyl-3-(3-methoxy-3-methylbutoxy)-2-(methylamino)propanoate
SMILESCCOC(=O)C(COCCC(C)(C)OC)(NC)C1CC1
InChIInChI=1S/C15H29NO4/c1-6-20-13(17)15(16-4,12-7-8-12)11-19-10-9-14(2,3)18-5/h12,16H,6-11H2,1-5H3
InChIKeyWJOKKOWPWGTYOY-UHFFFAOYSA-N
XLogP1.75
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-cyclopropyl-3-(3-methoxypropoxy)-2-(methylamino)propanoate
CID 63918950
ethyl 2-cyclopropyl-3-(2-cyclopropylethoxy)-2-(methylamino)propanoate
CID 106204240
ethyl 2-cyclopropyl-3-heptoxy-2-(methylamino)propanoate
CID 63921121
methyl 2-cyclopropyl-3-(2-ethoxyethoxy)-2-(methylamino)propanoate
CID 63919167
ethyl 2-cyclopropyl-3-(3,3-dimethylbutoxy)-2-(ethylamino)propanoate
CID 66226799
ethyl 2-cyclopropyl-3-(4-methoxyphenoxy)-2-(methylamino)propanoate
CID 63920001
ethyl 2-cyclopropyl-3-(3,5-dimethylcyclohexyl)oxy-2-(methylamino)propanoate
CID 64730026
ethyl 2-cyclopropyl-3-(2-ethylhexoxy)-2-(methylamino)propanoate
CID 63919547
ethyl 2-cyclopropyl-3-[2,2-dimethylpropyl(methyl)amino]-2-(methylamino)propanoate
CID 63909006
ethyl 2-cyclopropyl-3-pentoxy-2-(propan-2-ylamino)propanoate
CID 63920206
ethyl 2-cyclopropyl-3-(2,3-dimethylphenoxy)-2-(methylamino)propanoate
CID 63920579
ethyl 2-cyclopropyl-2-(methylamino)propanoate
CID 60788390

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclopropyl-3-(3-methoxy-3-methylbutoxy)-2-(methylamino)propanoate?
The IUPAC name of ethyl 2-cyclopropyl-3-(3-methoxy-3-methylbutoxy)-2-(methylamino)propanoate (CID 106666798) is ethyl 2-cyclopropyl-3-(3-methoxy-3-methylbutoxy)-2-(methylamino)propanoate.
What is the SMILES notation for ethyl 2-cyclopropyl-3-(3-methoxy-3-methylbutoxy)-2-(methylamino)propanoate?
The canonical SMILES for ethyl 2-cyclopropyl-3-(3-methoxy-3-methylbutoxy)-2-(methylamino)propanoate is CCOC(=O)C(COCCC(C)(C)OC)(NC)C1CC1.
What is the InChIKey of ethyl 2-cyclopropyl-3-(3-methoxy-3-methylbutoxy)-2-(methylamino)propanoate?
The InChIKey is WJOKKOWPWGTYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO4/c1-6-20-13(17)15(16-4,12-7-8-12)11-19-10-9-14(2,3)18-5/h12,16H,6-11H2,1-5H3.
What are the key properties of ethyl 2-cyclopropyl-3-(3-methoxy-3-methylbutoxy)-2-(methylamino)propanoate?
ethyl 2-cyclopropyl-3-(3-methoxy-3-methylbutoxy)-2-(methylamino)propanoate has a molecular weight of 287.40 g/mol, XLogP of 1.75, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclopropyl-3-(3-methoxy-3-methylbutoxy)-2-(methylamino)propanoate is sourced from PubChem (CID 106666798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).