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

C10H17F3N2O3 — CID 62027170

IUPACmethyl 3-[ethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]propanoate
SMILESCCN(CCC(=O)OC)CC(=O)NCC(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-3-15(5-4-9(17)18-2)6-8(16)14-7-10(11,12)13/h3-7H2,1-2H3,(H,14,16)
InChIKeyYCWLMSASRJRFEU-UHFFFAOYSA-N
MW270.25 g/mol
LogP0.55
Rot. Bonds7

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

methyl 3-[ethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]propanoate (PubChem CID 62027170) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is methyl 3-[ethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]propanoate
PubChem CID62027170
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC Namemethyl 3-[ethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]propanoate
SMILESCCN(CCC(=O)OC)CC(=O)NCC(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-3-15(5-4-9(17)18-2)6-8(16)14-7-10(11,12)13/h3-7H2,1-2H3,(H,14,16)
InChIKeyYCWLMSASRJRFEU-UHFFFAOYSA-N
XLogP0.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 50.55
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
3-[[2-(Dimethylamino)acetyl]amino]propanamide;2,2,2-trifluoroacetic acid
CID 87130165
N-(3-aminopropyl)-2-(dimethylamino)acetamide;2,2,2-trifluoroacetic acid
CID 87130167
1-(3-Methoxypropyl)piperazin-2-one;2,2,2-trifluoroacetic acid
CID 172797562
Ethyl 2-[[2-[3-[(2,2,2-trifluoroacetyl)amino]propanoylamino]acetyl]amino]acetate
CID 23278173
N-(3-methoxypropyl)-2-(2,2,2-trifluoroethylamino)propanamide
CID 43116680
2,2,2-trifluoroethyl N-[3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-3-oxopropyl]carbamate
CID 51094325
N-(3-ethoxypropyl)-2-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 54871747
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)propanamide
CID 54872042
Methyl 3-[(2-amino-3-methylbutanoyl)-(2,2,2-trifluoroethyl)amino]propanoate
CID 54872051
Methyl 3-[3-aminopropanoyl(2,2,2-trifluoroethyl)amino]propanoate
CID 54872052

Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]propanoate?
The IUPAC name of methyl 3-[ethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]propanoate (CID 62027170) is methyl 3-[ethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]propanoate.
What is the SMILES notation for methyl 3-[ethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]propanoate?
The canonical SMILES for methyl 3-[ethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]propanoate is CCN(CCC(=O)OC)CC(=O)NCC(F)(F)F.
What is the InChIKey of methyl 3-[ethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]propanoate?
The InChIKey is YCWLMSASRJRFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3/c1-3-15(5-4-9(17)18-2)6-8(16)14-7-10(11,12)13/h3-7H2,1-2H3,(H,14,16).
What are the key properties of methyl 3-[ethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]propanoate?
methyl 3-[ethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]propanoate has a molecular weight of 270.25 g/mol, XLogP of 0.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]propanoate is sourced from PubChem (CID 62027170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).