methyl 2-methyl-3-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]propanoate

C10H17F3N2O3 — CID 60965170

IUPACmethyl 2-methyl-3-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]propanoate
SMILESCOC(=O)C(C)CN(C)CC(=O)NCC(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-7(9(17)18-3)4-15(2)5-8(16)14-6-10(11,12)13/h7H,4-6H2,1-3H3,(H,14,16)
InChIKeyGVHCACCPVSBQRN-UHFFFAOYSA-N
MW270.25 g/mol
LogP0.41
Rot. Bonds6

About methyl 2-methyl-3-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]propanoate

methyl 2-methyl-3-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]propanoate (PubChem CID 60965170) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is methyl 2-methyl-3-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]propanoate
PubChem CID60965170
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC Namemethyl 2-methyl-3-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]propanoate
SMILESCOC(=O)C(C)CN(C)CC(=O)NCC(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-7(9(17)18-3)4-15(2)5-8(16)14-6-10(11,12)13/h7H,4-6H2,1-3H3,(H,14,16)
InChIKeyGVHCACCPVSBQRN-UHFFFAOYSA-N
XLogP0.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 3-[2-(dimethylamino)acetamido]propanoate
CID 103603748
Methyl 3-[(2-aminoacetyl)amino]propanoate;2,2,2-trifluoroacetic acid
CID 139251186
N,2-dimethyl-N-[2-(methylamino)ethyl]propanamide;2,2,2-trifluoroacetic acid
CID 88408812
2,2,2-trifluoroethyl N-[3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-3-oxopropyl]carbamate
CID 51094325
2-amino-N-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide
CID 54871583
Methyl 3-[(2-amino-3-methylbutanoyl)-(2,2,2-trifluoroethyl)amino]propanoate
CID 54872051
Methyl 3-[2-aminopropanoyl(2,2,2-trifluoroethyl)amino]propanoate
CID 54872062
Methyl 3-[[2-(methylamino)acetyl]-(2,2,2-trifluoroethyl)amino]propanoate
CID 54872064
Methyl 3-[2-aminobutanoyl(2,2,2-trifluoroethyl)amino]propanoate
CID 54872075
Methyl 3-[[2-(propan-2-ylamino)acetyl]-(2,2,2-trifluoroethyl)amino]propanoate
CID 54872076
Methyl 3-[[2-(cyclopropylamino)acetyl]-(2,2,2-trifluoroethyl)amino]propanoate
CID 54872086
3-[Ethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]propanoic acid
CID 54899467

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]propanoate?
The IUPAC name of methyl 2-methyl-3-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]propanoate (CID 60965170) is methyl 2-methyl-3-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]propanoate.
What is the SMILES notation for methyl 2-methyl-3-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]propanoate?
The canonical SMILES for methyl 2-methyl-3-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]propanoate is COC(=O)C(C)CN(C)CC(=O)NCC(F)(F)F.
What is the InChIKey of methyl 2-methyl-3-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]propanoate?
The InChIKey is GVHCACCPVSBQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3/c1-7(9(17)18-3)4-15(2)5-8(16)14-6-10(11,12)13/h7H,4-6H2,1-3H3,(H,14,16).
What are the key properties of methyl 2-methyl-3-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]propanoate?
methyl 2-methyl-3-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]propanoate has a molecular weight of 270.25 g/mol, XLogP of 0.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]propanoate is sourced from PubChem (CID 60965170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).