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

C17H33NO3 — CID 63919547

IUPACethyl 2-cyclopropyl-3-(2-ethylhexoxy)-2-(methylamino)propanoate
SMILESCCCCC(CC)COCC(NC)(C(=O)OCC)C1CC1
InChIInChI=1S/C17H33NO3/c1-5-8-9-14(6-2)12-20-13-17(18-4,15-10-11-15)16(19)21-7-3/h14-15,18H,5-13H2,1-4H3
InChIKeyNXSXLTVCLVIRNT-UHFFFAOYSA-N
MW299.45 g/mol
LogP3.15
Rot. Bonds12

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

ethyl 2-cyclopropyl-3-(2-ethylhexoxy)-2-(methylamino)propanoate (PubChem CID 63919547) has the molecular formula C17H33NO3 and a molecular weight of 299.45 g/mol. Its IUPAC name is ethyl 2-cyclopropyl-3-(2-ethylhexoxy)-2-(methylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-cyclopropyl-3-(2-ethylhexoxy)-2-(methylamino)propanoate
PubChem CID63919547
Molecular FormulaC17H33NO3
Molecular Weight299.45 g/mol
Exact Mass299.25
IUPAC Nameethyl 2-cyclopropyl-3-(2-ethylhexoxy)-2-(methylamino)propanoate
SMILESCCCCC(CC)COCC(NC)(C(=O)OCC)C1CC1
InChIInChI=1S/C17H33NO3/c1-5-8-9-14(6-2)12-20-13-17(18-4,15-10-11-15)16(19)21-7-3/h14-15,18H,5-13H2,1-4H3
InChIKeyNXSXLTVCLVIRNT-UHFFFAOYSA-N
XLogP3.15
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.45
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-amino-2-cyclopropyl-3-(2-ethylhexoxy)propanoate
CID 63919943
2-cyclopropyl-2-(ethylamino)-3-(2-ethylhexoxy)propanamide
CID 63919546
ethyl 2-cyclopropyl-3-heptoxy-2-(methylamino)propanoate
CID 63921121
ethyl 2-cyclopropyl-3-(3-methoxypropoxy)-2-(methylamino)propanoate
CID 63918950
ethyl 2-cyclopropyl-3-(2-cyclopropylethoxy)-2-(methylamino)propanoate
CID 106204240
2-amino-2-cyclopropyl-3-(2-ethylhexoxy)propan-1-ol
CID 64803573
ethyl 2-cyclopropyl-3-pentoxy-2-(propan-2-ylamino)propanoate
CID 63920206
ethyl 3-[butyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanoate
CID 63908426
ethyl 2-cyclopropyl-2-(methylamino)-3-[pentyl(propan-2-yl)amino]propanoate
CID 63909390
methyl 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(methylamino)propanoate
CID 82005504
2-amino-2-cyclopropyl-3-(2-ethylhexoxy)propanenitrile
CID 63906066
ethyl 2-(cyclopropylamino)-4-(2-ethylhexoxy)butanoate
CID 63039838

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclopropyl-3-(2-ethylhexoxy)-2-(methylamino)propanoate?
The IUPAC name of ethyl 2-cyclopropyl-3-(2-ethylhexoxy)-2-(methylamino)propanoate (CID 63919547) is ethyl 2-cyclopropyl-3-(2-ethylhexoxy)-2-(methylamino)propanoate.
What is the SMILES notation for ethyl 2-cyclopropyl-3-(2-ethylhexoxy)-2-(methylamino)propanoate?
The canonical SMILES for ethyl 2-cyclopropyl-3-(2-ethylhexoxy)-2-(methylamino)propanoate is CCCCC(CC)COCC(NC)(C(=O)OCC)C1CC1.
What is the InChIKey of ethyl 2-cyclopropyl-3-(2-ethylhexoxy)-2-(methylamino)propanoate?
The InChIKey is NXSXLTVCLVIRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO3/c1-5-8-9-14(6-2)12-20-13-17(18-4,15-10-11-15)16(19)21-7-3/h14-15,18H,5-13H2,1-4H3.
What are the key properties of ethyl 2-cyclopropyl-3-(2-ethylhexoxy)-2-(methylamino)propanoate?
ethyl 2-cyclopropyl-3-(2-ethylhexoxy)-2-(methylamino)propanoate has a molecular weight of 299.45 g/mol, XLogP of 3.15, 12 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-ethylhexoxy)-2-(methylamino)propanoate is sourced from PubChem (CID 63919547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).