ethyl 2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propylamino)propanoate

C16H31NO3 — CID 63919160

IUPACethyl 2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propylamino)propanoate
SMILESCCCNC(COC(C)(C)CC)(C(=O)OCC)C1CC1
InChIInChI=1S/C16H31NO3/c1-6-11-17-16(13-9-10-13,14(18)19-8-3)12-20-15(4,5)7-2/h13,17H,6-12H2,1-5H3
InChIKeyGMEJLPHKDSNWCN-UHFFFAOYSA-N
MW285.43 g/mol
LogP2.90
Rot. Bonds10

About ethyl 2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propylamino)propanoate

ethyl 2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propylamino)propanoate (PubChem CID 63919160) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is ethyl 2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propylamino)propanoate
PubChem CID63919160
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Nameethyl 2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propylamino)propanoate
SMILESCCCNC(COC(C)(C)CC)(C(=O)OCC)C1CC1
InChIInChI=1S/C16H31NO3/c1-6-11-17-16(13-9-10-13,14(18)19-8-3)12-20-15(4,5)7-2/h13,17H,6-12H2,1-5H3
InChIKeyGMEJLPHKDSNWCN-UHFFFAOYSA-N
XLogP2.90
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-cyclopropyl-2-(ethylamino)-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 63921714
ethyl 2-cyclopropyl-3-[2,2-dimethylpropyl(methyl)amino]-2-(propylamino)propanoate
CID 63911759
ethyl 2-cyclopropyl-3-propan-2-ylsulfanyl-2-(propylamino)propanoate
CID 63921616
ethyl 2-cyclopropyl-3-(3-methylbutan-2-ylsulfanyl)-2-(propylamino)propanoate
CID 107755679
ethyl 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propylamino)propanoate
CID 63911314
2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propylamino)propan-1-ol
CID 64802127
methyl 2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propan-2-ylamino)propanoate
CID 63919161
2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propan-2-ylamino)propanamide
CID 63918574
methyl 2-cyclopropyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(propylamino)propanoate
CID 115942540
ethyl 2-cyclopropyl-3-[2-ethoxyethyl(methyl)amino]-2-(propylamino)propanoate
CID 81043973
ethyl 2-cyclopropyl-3-(2-methylpiperidin-1-yl)-2-(propylamino)propanoate
CID 63907026
ethyl 2-cyclopropyl-3-(3,3-dimethylbutoxy)-2-(ethylamino)propanoate
CID 66226799

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propylamino)propanoate?
The IUPAC name of ethyl 2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propylamino)propanoate (CID 63919160) is ethyl 2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propylamino)propanoate.
What is the SMILES notation for ethyl 2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propylamino)propanoate?
The canonical SMILES for ethyl 2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propylamino)propanoate is CCCNC(COC(C)(C)CC)(C(=O)OCC)C1CC1.
What is the InChIKey of ethyl 2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propylamino)propanoate?
The InChIKey is GMEJLPHKDSNWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-6-11-17-16(13-9-10-13,14(18)19-8-3)12-20-15(4,5)7-2/h13,17H,6-12H2,1-5H3.
What are the key properties of ethyl 2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propylamino)propanoate?
ethyl 2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propylamino)propanoate has a molecular weight of 285.43 g/mol, XLogP of 2.90, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propylamino)propanoate is sourced from PubChem (CID 63919160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).