ethyl 2-(cyclopropylamino)-4-(1-ethoxypropan-2-yloxy)-2-methylbutanoate

C15H29NO4 — CID 103489923

IUPACethyl 2-(cyclopropylamino)-4-(1-ethoxypropan-2-yloxy)-2-methylbutanoate
SMILESCCOCC(C)OCCC(C)(NC1CC1)C(=O)OCC
InChIInChI=1S/C15H29NO4/c1-5-18-11-12(3)20-10-9-15(4,14(17)19-6-2)16-13-7-8-13/h12-13,16H,5-11H2,1-4H3
InChIKeyRNNVYEPRYPHTOL-UHFFFAOYSA-N
MW287.40 g/mol
LogP1.89
Rot. Bonds11

About ethyl 2-(cyclopropylamino)-4-(1-ethoxypropan-2-yloxy)-2-methylbutanoate

ethyl 2-(cyclopropylamino)-4-(1-ethoxypropan-2-yloxy)-2-methylbutanoate (PubChem CID 103489923) has the molecular formula C15H29NO4 and a molecular weight of 287.40 g/mol. Its IUPAC name is ethyl 2-(cyclopropylamino)-4-(1-ethoxypropan-2-yloxy)-2-methylbutanoate.

Molecular Properties

Compound Nameethyl 2-(cyclopropylamino)-4-(1-ethoxypropan-2-yloxy)-2-methylbutanoate
PubChem CID103489923
Molecular FormulaC15H29NO4
Molecular Weight287.40 g/mol
Exact Mass287.21
IUPAC Nameethyl 2-(cyclopropylamino)-4-(1-ethoxypropan-2-yloxy)-2-methylbutanoate
SMILESCCOCC(C)OCCC(C)(NC1CC1)C(=O)OCC
InChIInChI=1S/C15H29NO4/c1-5-18-11-12(3)20-10-9-15(4,14(17)19-6-2)16-13-7-8-13/h12-13,16H,5-11H2,1-4H3
InChIKeyRNNVYEPRYPHTOL-UHFFFAOYSA-N
XLogP1.89
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(cyclopropylamino)-2-methyl-5-pentan-2-yloxypentanoate
CID 102984108
ethyl 2-(cyclopropylamino)-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanoate
CID 115942513
ethyl 2-(cyclopropylamino)-6-(2,2-difluoroethoxy)-2-methylhexanoate
CID 82007194
ethyl 6-(1-ethoxypropan-2-yloxy)-2-methyl-2-(methylamino)hexanoate
CID 103489864
ethyl 4-cyclobutyloxy-2-(cyclopropylamino)-2-methylbutanoate
CID 62142000
ethyl 2-(cyclopropylamino)-2-methyl-3-pentan-2-yloxypropanoate
CID 102984149
methyl 4-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-methylbutanoate
CID 103489912
ethyl 3-(1-ethoxypropan-2-yloxy)-2-methyl-2-(methylamino)propanoate
CID 103489778
ethyl 2-(cyclopentylamino)-2-methylpentanoate
CID 60997340
ethyl 2-(cyclopropylamino)-4-[1-methoxypropan-2-yl(methyl)amino]-2-methylpentanoate
CID 64711612
ethyl 2-(cyclopropylamino)-3-[3-(2-methoxyethoxy)propoxy]-2-methylpropanoate
CID 103404627
methyl 2-(cyclopropylamino)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)butanoate
CID 66275078

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopropylamino)-4-(1-ethoxypropan-2-yloxy)-2-methylbutanoate?
The IUPAC name of ethyl 2-(cyclopropylamino)-4-(1-ethoxypropan-2-yloxy)-2-methylbutanoate (CID 103489923) is ethyl 2-(cyclopropylamino)-4-(1-ethoxypropan-2-yloxy)-2-methylbutanoate.
What is the SMILES notation for ethyl 2-(cyclopropylamino)-4-(1-ethoxypropan-2-yloxy)-2-methylbutanoate?
The canonical SMILES for ethyl 2-(cyclopropylamino)-4-(1-ethoxypropan-2-yloxy)-2-methylbutanoate is CCOCC(C)OCCC(C)(NC1CC1)C(=O)OCC.
What is the InChIKey of ethyl 2-(cyclopropylamino)-4-(1-ethoxypropan-2-yloxy)-2-methylbutanoate?
The InChIKey is RNNVYEPRYPHTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO4/c1-5-18-11-12(3)20-10-9-15(4,14(17)19-6-2)16-13-7-8-13/h12-13,16H,5-11H2,1-4H3.
What are the key properties of ethyl 2-(cyclopropylamino)-4-(1-ethoxypropan-2-yloxy)-2-methylbutanoate?
ethyl 2-(cyclopropylamino)-4-(1-ethoxypropan-2-yloxy)-2-methylbutanoate has a molecular weight of 287.40 g/mol, XLogP of 1.89, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopropylamino)-4-(1-ethoxypropan-2-yloxy)-2-methylbutanoate is sourced from PubChem (CID 103489923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).