methyl 2-cyclopropyl-2-(propylamino)-3-(2,2,2-trifluoroethoxy)propanoate

C12H20F3NO3 — CID 63918602

IUPACmethyl 2-cyclopropyl-2-(propylamino)-3-(2,2,2-trifluoroethoxy)propanoate
SMILESCCCNC(COCC(F)(F)F)(C(=O)OC)C1CC1
InChIInChI=1S/C12H20F3NO3/c1-3-6-16-11(9-4-5-9,10(17)18-2)7-19-8-12(13,14)15/h9,16H,3-8H2,1-2H3
InChIKeyIYHDHMAJMZVFLB-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.89
Rot. Bonds8

About methyl 2-cyclopropyl-2-(propylamino)-3-(2,2,2-trifluoroethoxy)propanoate

methyl 2-cyclopropyl-2-(propylamino)-3-(2,2,2-trifluoroethoxy)propanoate (PubChem CID 63918602) has the molecular formula C12H20F3NO3 and a molecular weight of 283.29 g/mol. Its IUPAC name is methyl 2-cyclopropyl-2-(propylamino)-3-(2,2,2-trifluoroethoxy)propanoate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-2-(propylamino)-3-(2,2,2-trifluoroethoxy)propanoate
PubChem CID63918602
Molecular FormulaC12H20F3NO3
Molecular Weight283.29 g/mol
Exact Mass283.14
IUPAC Namemethyl 2-cyclopropyl-2-(propylamino)-3-(2,2,2-trifluoroethoxy)propanoate
SMILESCCCNC(COCC(F)(F)F)(C(=O)OC)C1CC1
InChIInChI=1S/C12H20F3NO3/c1-3-6-16-11(9-4-5-9,10(17)18-2)7-19-8-12(13,14)15/h9,16H,3-8H2,1-2H3
InChIKeyIYHDHMAJMZVFLB-UHFFFAOYSA-N
XLogP1.89
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-cyclopropyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(propylamino)propanoate
CID 115942540
methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2,2,2-trifluoroethoxy)propanoate
CID 63919975
methyl 2-cyclopropyl-3-(oxan-4-ylmethoxy)-2-(propylamino)propanoate
CID 63920996
methyl 2-cyclopropyl-3-(oxolan-3-yloxy)-2-(propylamino)propanoate
CID 63921206
methyl 2-cyclopropyl-2-(2-methoxyethylamino)butanoate
CID 64918055
2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propylamino)propanoic acid
CID 82007448
methyl 3-[butyl(cyclopropyl)amino]-2-cyclopropyl-2-(propylamino)propanoate
CID 63910356
methyl 2-cyclopropyl-2-(ethylamino)-3-(2-methylpropoxy)propanoate
CID 63921337
methyl 2-cyclopropyl-3-(4-methoxypiperidin-1-yl)-2-(propylamino)propanoate
CID 63909725
methyl 2-cyclopropyl-3-(3-methoxypropylsulfanyl)-2-(propylamino)propanoate
CID 63921066
methyl 3-[butyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propanoate
CID 63906340
methyl 2-cyclopropyl-3-[cyclopropylmethyl(ethyl)amino]-2-(propylamino)propanoate
CID 63956079

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-2-(propylamino)-3-(2,2,2-trifluoroethoxy)propanoate?
The IUPAC name of methyl 2-cyclopropyl-2-(propylamino)-3-(2,2,2-trifluoroethoxy)propanoate (CID 63918602) is methyl 2-cyclopropyl-2-(propylamino)-3-(2,2,2-trifluoroethoxy)propanoate.
What is the SMILES notation for methyl 2-cyclopropyl-2-(propylamino)-3-(2,2,2-trifluoroethoxy)propanoate?
The canonical SMILES for methyl 2-cyclopropyl-2-(propylamino)-3-(2,2,2-trifluoroethoxy)propanoate is CCCNC(COCC(F)(F)F)(C(=O)OC)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-2-(propylamino)-3-(2,2,2-trifluoroethoxy)propanoate?
The InChIKey is IYHDHMAJMZVFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO3/c1-3-6-16-11(9-4-5-9,10(17)18-2)7-19-8-12(13,14)15/h9,16H,3-8H2,1-2H3.
What are the key properties of methyl 2-cyclopropyl-2-(propylamino)-3-(2,2,2-trifluoroethoxy)propanoate?
methyl 2-cyclopropyl-2-(propylamino)-3-(2,2,2-trifluoroethoxy)propanoate has a molecular weight of 283.29 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-2-(propylamino)-3-(2,2,2-trifluoroethoxy)propanoate is sourced from PubChem (CID 63918602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).