ethyl 2-(cyclopropylamino)-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanoate

C16H31NO4 — CID 115942513

IUPACethyl 2-(cyclopropylamino)-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanoate
SMILESCCOC(=O)C(C)(CCOCCOC(C)(C)C)NC1CC1
InChIInChI=1S/C16H31NO4/c1-6-20-14(18)16(5,17-13-7-8-13)9-10-19-11-12-21-15(2,3)4/h13,17H,6-12H2,1-5H3
InChIKeyWGAIDRDYHCWHHI-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.28
Rot. Bonds10

About ethyl 2-(cyclopropylamino)-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanoate

ethyl 2-(cyclopropylamino)-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanoate (PubChem CID 115942513) has the molecular formula C16H31NO4 and a molecular weight of 301.43 g/mol. Its IUPAC name is ethyl 2-(cyclopropylamino)-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanoate.

Molecular Properties

Compound Nameethyl 2-(cyclopropylamino)-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanoate
PubChem CID115942513
Molecular FormulaC16H31NO4
Molecular Weight301.43 g/mol
Exact Mass301.23
IUPAC Nameethyl 2-(cyclopropylamino)-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanoate
SMILESCCOC(=O)C(C)(CCOCCOC(C)(C)C)NC1CC1
InChIInChI=1S/C16H31NO4/c1-6-20-14(18)16(5,17-13-7-8-13)9-10-19-11-12-21-15(2,3)4/h13,17H,6-12H2,1-5H3
InChIKeyWGAIDRDYHCWHHI-UHFFFAOYSA-N
XLogP2.28
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.28
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

2-(cyclopropylamino)-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanoic acid
CID 112589171
ethyl 2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(propan-2-ylamino)butanoate
CID 115942549
ethyl 2-(cyclopropylamino)-3-[3-(2-methoxyethoxy)propoxy]-2-methylpropanoate
CID 103404627
ethyl 4-cyclobutyloxy-2-(cyclopropylamino)-2-methylbutanoate
CID 62142000
ethyl 2-(cyclopropylamino)-3-[2-(3-methoxypropoxy)ethoxy]-2-methylpropanoate
CID 103180037
ethyl 2-(cyclopropylamino)-4-(1-ethoxypropan-2-yloxy)-2-methylbutanoate
CID 103489923
methyl 2-(cyclopropylamino)-4-[3-(2-methoxyethoxy)propoxy]-2-methylbutanoate
CID 103404585
ethyl 2-(cyclopentylamino)-2-methylpentanoate
CID 60997340
ethyl 2-(cyclopropylamino)-6-(2,2-difluoroethoxy)-2-methylhexanoate
CID 82007194
methyl 2-(cyclopropylamino)-4-(3-methoxy-3-methylbutoxy)-2-methylbutanoate
CID 106666818
ethyl 2-(cyclopentylamino)-2-methylbutanoate
CID 60997455
ethyl 2-(cyclopropylamino)-2-methyl-6-pentylsulfanylhexanoate
CID 107755513

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopropylamino)-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanoate?
The IUPAC name of ethyl 2-(cyclopropylamino)-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanoate (CID 115942513) is ethyl 2-(cyclopropylamino)-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanoate.
What is the SMILES notation for ethyl 2-(cyclopropylamino)-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanoate?
The canonical SMILES for ethyl 2-(cyclopropylamino)-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanoate is CCOC(=O)C(C)(CCOCCOC(C)(C)C)NC1CC1.
What is the InChIKey of ethyl 2-(cyclopropylamino)-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanoate?
The InChIKey is WGAIDRDYHCWHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO4/c1-6-20-14(18)16(5,17-13-7-8-13)9-10-19-11-12-21-15(2,3)4/h13,17H,6-12H2,1-5H3.
What are the key properties of ethyl 2-(cyclopropylamino)-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanoate?
ethyl 2-(cyclopropylamino)-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanoate has a molecular weight of 301.43 g/mol, XLogP of 2.28, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopropylamino)-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanoate is sourced from PubChem (CID 115942513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).