methyl 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)propanoate

C13H21F3N2O2 — CID 63909759

IUPACmethyl 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)propanoate
SMILESCNC(CN(CC(F)(F)F)C1CC1)(C(=O)OC)C1CC1
InChIInChI=1S/C13H21F3N2O2/c1-17-12(9-3-4-9,11(19)20-2)7-18(10-5-6-10)8-13(14,15)16/h9-10,17H,3-8H2,1-2H3
InChIKeyJJNCKLPEPMXQRH-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.55
Rot. Bonds7

About methyl 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)propanoate

methyl 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)propanoate (PubChem CID 63909759) has the molecular formula C13H21F3N2O2 and a molecular weight of 294.32 g/mol. Its IUPAC name is methyl 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)propanoate
PubChem CID63909759
Molecular FormulaC13H21F3N2O2
Molecular Weight294.32 g/mol
Exact Mass294.16
IUPAC Namemethyl 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)propanoate
SMILESCNC(CN(CC(F)(F)F)C1CC1)(C(=O)OC)C1CC1
InChIInChI=1S/C13H21F3N2O2/c1-17-12(9-3-4-9,11(19)20-2)7-18(10-5-6-10)8-13(14,15)16/h9-10,17H,3-8H2,1-2H3
InChIKeyJJNCKLPEPMXQRH-UHFFFAOYSA-N
XLogP1.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)propanoic acid
CID 63909168
methyl 3-[butyl(cyclopropyl)amino]-2-cyclopropyl-2-(propylamino)propanoate
CID 63910356
methyl 2-cyclopropyl-3-ethylsulfanyl-2-(methylamino)propanoate
CID 63915905
methyl 2-cyclopropyl-3-[ethyl(1-methoxypropan-2-yl)amino]-2-(methylamino)propanoate
CID 63910940
methyl 2-cyclopropyl-3-[cyclopropylmethyl(propyl)amino]-2-(methylamino)propanoate
CID 63910948
methyl 2-cyclopropyl-3-[2-ethoxyethyl(methyl)amino]-2-(methylamino)propanoate
CID 81061750
methyl 3-[butan-2-yl(2-methoxyethyl)amino]-2-cyclopropyl-2-(methylamino)propanoate
CID 63910377
methyl 2-cyclopropyl-3-[ethyl(2-methylbutyl)amino]-2-(methylamino)propanoate
CID 79480101
3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanoic acid
CID 62271774
methyl 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(methylamino)propanoate
CID 82005504
methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2,2,2-trifluoroethoxy)propanoate
CID 63919975
methyl 2-cyclopropyl-3-(N-ethyl-3-fluoroanilino)-2-(methylamino)propanoate
CID 63909571

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)propanoate?
The IUPAC name of methyl 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)propanoate (CID 63909759) is methyl 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)propanoate.
What is the SMILES notation for methyl 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)propanoate?
The canonical SMILES for methyl 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)propanoate is CNC(CN(CC(F)(F)F)C1CC1)(C(=O)OC)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)propanoate?
The InChIKey is JJNCKLPEPMXQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O2/c1-17-12(9-3-4-9,11(19)20-2)7-18(10-5-6-10)8-13(14,15)16/h9-10,17H,3-8H2,1-2H3.
What are the key properties of methyl 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)propanoate?
methyl 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)propanoate has a molecular weight of 294.32 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)propanoate is sourced from PubChem (CID 63909759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).