ethyl 2-cyclopropyl-3-(3-methoxypropoxy)-2-(methylamino)propanoate

C13H25NO4 — CID 63918950

IUPACethyl 2-cyclopropyl-3-(3-methoxypropoxy)-2-(methylamino)propanoate
SMILESCCOC(=O)C(COCCCOC)(NC)C1CC1
InChIInChI=1S/C13H25NO4/c1-4-18-12(15)13(14-2,11-6-7-11)10-17-9-5-8-16-3/h11,14H,4-10H2,1-3H3
InChIKeyGWUSNSSHUWFIHH-UHFFFAOYSA-N
MW259.35 g/mol
LogP0.97
Rot. Bonds10

About ethyl 2-cyclopropyl-3-(3-methoxypropoxy)-2-(methylamino)propanoate

ethyl 2-cyclopropyl-3-(3-methoxypropoxy)-2-(methylamino)propanoate (PubChem CID 63918950) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is ethyl 2-cyclopropyl-3-(3-methoxypropoxy)-2-(methylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-cyclopropyl-3-(3-methoxypropoxy)-2-(methylamino)propanoate
PubChem CID63918950
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Nameethyl 2-cyclopropyl-3-(3-methoxypropoxy)-2-(methylamino)propanoate
SMILESCCOC(=O)C(COCCCOC)(NC)C1CC1
InChIInChI=1S/C13H25NO4/c1-4-18-12(15)13(14-2,11-6-7-11)10-17-9-5-8-16-3/h11,14H,4-10H2,1-3H3
InChIKeyGWUSNSSHUWFIHH-UHFFFAOYSA-N
XLogP0.97
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 50.97
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-heptoxy-2-(methylamino)propanoate
CID 63921121
ethyl 2-cyclopropyl-3-(2-cyclopropylethoxy)-2-(methylamino)propanoate
CID 106204240
ethyl 2-cyclopropyl-3-(3-methoxy-3-methylbutoxy)-2-(methylamino)propanoate
CID 106666798
methyl 2-cyclopropyl-3-(2-ethoxyethoxy)-2-(methylamino)propanoate
CID 63919167
ethyl 2-cyclopropyl-3-(4-methoxyphenoxy)-2-(methylamino)propanoate
CID 63920001
ethyl 2-cyclopropyl-3-(2-ethylhexoxy)-2-(methylamino)propanoate
CID 63919547
ethyl 2-amino-2-cyclopropyl-3-[2-(2-methoxyethoxy)ethoxy]propanoate
CID 104565266
ethyl 2-cyclopropyl-3-pentoxy-2-(propan-2-ylamino)propanoate
CID 63920206
ethyl 2-cyclopropyl-3-(3,5-dimethylcyclohexyl)oxy-2-(methylamino)propanoate
CID 64730026
ethyl 4-[2-(3-methoxypropoxy)ethoxy]-2-methyl-2-(methylamino)butanoate
CID 103180000
ethyl 2-cyclopropyl-3-(3,3-dimethylbutoxy)-2-(ethylamino)propanoate
CID 66226799
ethyl 2-(cyclopropylamino)-3-[2-(3-methoxypropoxy)ethoxy]-2-methylpropanoate
CID 103180037

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclopropyl-3-(3-methoxypropoxy)-2-(methylamino)propanoate?
The IUPAC name of ethyl 2-cyclopropyl-3-(3-methoxypropoxy)-2-(methylamino)propanoate (CID 63918950) is ethyl 2-cyclopropyl-3-(3-methoxypropoxy)-2-(methylamino)propanoate.
What is the SMILES notation for ethyl 2-cyclopropyl-3-(3-methoxypropoxy)-2-(methylamino)propanoate?
The canonical SMILES for ethyl 2-cyclopropyl-3-(3-methoxypropoxy)-2-(methylamino)propanoate is CCOC(=O)C(COCCCOC)(NC)C1CC1.
What is the InChIKey of ethyl 2-cyclopropyl-3-(3-methoxypropoxy)-2-(methylamino)propanoate?
The InChIKey is GWUSNSSHUWFIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-4-18-12(15)13(14-2,11-6-7-11)10-17-9-5-8-16-3/h11,14H,4-10H2,1-3H3.
What are the key properties of ethyl 2-cyclopropyl-3-(3-methoxypropoxy)-2-(methylamino)propanoate?
ethyl 2-cyclopropyl-3-(3-methoxypropoxy)-2-(methylamino)propanoate has a molecular weight of 259.35 g/mol, XLogP of 0.97, 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-methoxypropoxy)-2-(methylamino)propanoate is sourced from PubChem (CID 63918950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).