ethyl 2-(cyclopropylamino)-3-[2-(3-methoxypropoxy)ethoxy]-2-methylpropanoate

C15H29NO5 — CID 103180037

IUPACethyl 2-(cyclopropylamino)-3-[2-(3-methoxypropoxy)ethoxy]-2-methylpropanoate
SMILESCCOC(=O)C(C)(COCCOCCCOC)NC1CC1
InChIInChI=1S/C15H29NO5/c1-4-21-14(17)15(2,16-13-6-7-13)12-20-11-10-19-9-5-8-18-3/h13,16H,4-12H2,1-3H3
InChIKeyVYMYOIFJYTUHGU-UHFFFAOYSA-N
MW303.40 g/mol
LogP1.13
Rot. Bonds13

About ethyl 2-(cyclopropylamino)-3-[2-(3-methoxypropoxy)ethoxy]-2-methylpropanoate

ethyl 2-(cyclopropylamino)-3-[2-(3-methoxypropoxy)ethoxy]-2-methylpropanoate (PubChem CID 103180037) has the molecular formula C15H29NO5 and a molecular weight of 303.40 g/mol. Its IUPAC name is ethyl 2-(cyclopropylamino)-3-[2-(3-methoxypropoxy)ethoxy]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-(cyclopropylamino)-3-[2-(3-methoxypropoxy)ethoxy]-2-methylpropanoate
PubChem CID103180037
Molecular FormulaC15H29NO5
Molecular Weight303.40 g/mol
Exact Mass303.20
IUPAC Nameethyl 2-(cyclopropylamino)-3-[2-(3-methoxypropoxy)ethoxy]-2-methylpropanoate
SMILESCCOC(=O)C(C)(COCCOCCCOC)NC1CC1
InChIInChI=1S/C15H29NO5/c1-4-21-14(17)15(2,16-13-6-7-13)12-20-11-10-19-9-5-8-18-3/h13,16H,4-12H2,1-3H3
InChIKeyVYMYOIFJYTUHGU-UHFFFAOYSA-N
XLogP1.13
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(cyclopropylamino)-3-[3-(2-methoxyethoxy)propoxy]-2-methylpropanoate
CID 103404627
methyl 2-(cyclopropylamino)-4-[3-(2-methoxyethoxy)propoxy]-2-methylbutanoate
CID 103404585
ethyl 4-[2-(3-methoxypropoxy)ethoxy]-2-methyl-2-(methylamino)butanoate
CID 103180000
ethyl 2-(cyclopropylamino)-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanoate
CID 115942513
ethyl 6-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(methylamino)hexanoate
CID 104565496
ethyl 2-cyclopropyl-3-(3-methoxypropoxy)-2-(methylamino)propanoate
CID 63918950
ethyl 2-(cyclopentylamino)-2-methylbutanoate
CID 60997455
ethyl 2-(cyclopropylamino)-2-methyl-3-pentan-2-yloxypropanoate
CID 102984149
ethyl 2-(cyclopropylamino)-4-[1-methoxypropan-2-yl(methyl)amino]-2-methylpentanoate
CID 64711612
ethyl 2-(cyclopropylamino)-6-(2,2-difluoroethoxy)-2-methylhexanoate
CID 82007194
2-cyclopropyl-2-(cyclopropylamino)-3-[2-(3-methoxypropoxy)ethoxy]propanoic acid
CID 103180133
3-[2-(3-methoxypropoxy)ethoxy]-2-methyl-2-(methylamino)propanamide
CID 103180146

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopropylamino)-3-[2-(3-methoxypropoxy)ethoxy]-2-methylpropanoate?
The IUPAC name of ethyl 2-(cyclopropylamino)-3-[2-(3-methoxypropoxy)ethoxy]-2-methylpropanoate (CID 103180037) is ethyl 2-(cyclopropylamino)-3-[2-(3-methoxypropoxy)ethoxy]-2-methylpropanoate.
What is the SMILES notation for ethyl 2-(cyclopropylamino)-3-[2-(3-methoxypropoxy)ethoxy]-2-methylpropanoate?
The canonical SMILES for ethyl 2-(cyclopropylamino)-3-[2-(3-methoxypropoxy)ethoxy]-2-methylpropanoate is CCOC(=O)C(C)(COCCOCCCOC)NC1CC1.
What is the InChIKey of ethyl 2-(cyclopropylamino)-3-[2-(3-methoxypropoxy)ethoxy]-2-methylpropanoate?
The InChIKey is VYMYOIFJYTUHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO5/c1-4-21-14(17)15(2,16-13-6-7-13)12-20-11-10-19-9-5-8-18-3/h13,16H,4-12H2,1-3H3.
What are the key properties of ethyl 2-(cyclopropylamino)-3-[2-(3-methoxypropoxy)ethoxy]-2-methylpropanoate?
ethyl 2-(cyclopropylamino)-3-[2-(3-methoxypropoxy)ethoxy]-2-methylpropanoate has a molecular weight of 303.40 g/mol, XLogP of 1.13, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopropylamino)-3-[2-(3-methoxypropoxy)ethoxy]-2-methylpropanoate is sourced from PubChem (CID 103180037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).