N,N-diethylethanamine;2-[(2,2,2-trifluoroacetyl)amino]acetic acid

C10H19F3N2O3 — CID 86184993

IUPACN,N-diethylethanamine;2-[(2,2,2-trifluoroacetyl)amino]acetic acid
SMILESCCN(CC)CC.O=C(O)CNC(=O)C(F)(F)F
InChIInChI=1S/C6H15N.C4H4F3NO3/c1-4-7(5-2)6-3;5-4(6,7)3(11)8-1-2(9)10/h4-6H2,1-3H3;1H2,(H,8,11)(H,9,10)
InChIKeyMTOBBWSVOWVDDX-UHFFFAOYSA-N
MW272.27 g/mol
LogP1.10
Rot. Bonds5

About N,N-diethylethanamine;2-[(2,2,2-trifluoroacetyl)amino]acetic acid

N,N-diethylethanamine;2-[(2,2,2-trifluoroacetyl)amino]acetic acid (PubChem CID 86184993) has the molecular formula C10H19F3N2O3 and a molecular weight of 272.27 g/mol. Its IUPAC name is N,N-diethylethanamine;2-[(2,2,2-trifluoroacetyl)amino]acetic acid.

Molecular Properties

Compound NameN,N-diethylethanamine;2-[(2,2,2-trifluoroacetyl)amino]acetic acid
PubChem CID86184993
Molecular FormulaC10H19F3N2O3
Molecular Weight272.27 g/mol
Exact Mass272.13
IUPAC NameN,N-diethylethanamine;2-[(2,2,2-trifluoroacetyl)amino]acetic acid
SMILESCCN(CC)CC.O=C(O)CNC(=O)C(F)(F)F
InChIInChI=1S/C6H15N.C4H4F3NO3/c1-4-7(5-2)6-3;5-4(6,7)3(11)8-1-2(9)10/h4-6H2,1-3H3;1H2,(H,8,11)(H,9,10)
InChIKeyMTOBBWSVOWVDDX-UHFFFAOYSA-N
XLogP1.10
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-aminoacetic acid;2-[(2,2,2-trifluoroacetyl)amino]acetic acid
CID 160881248
N,N-diethylethanamine;2,2,2-trifluoroacetic acid;hydrate
CID 175431120
N-ethyl-2,2,2-trifluoroacetamide
CID 581108
2-(2,2-diethylbutanoylamino)acetic acid
CID 88907471
bis(N,N-diethylethanamine);2-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethoxy]ethyl dihydrogen phosphate
CID 171931035
ethyl 2-[[2-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]acetyl]amino]acetate
CID 44721217
bis(N,N-diethylethanamine);oxalic acid
CID 71339505
2-[[2-(2,2-dimethylbutanoylamino)acetyl]amino]acetic acid
CID 62677817
N,N-diethylethanamine;hydroxycarbamic acid
CID 174953323
2-[(2-methoxy-2-methylpropanoyl)amino]acetic acid
CID 115909635
undecyl 2-[(2,2,2-trifluoroacetyl)amino]acetate
CID 91693601
acetic acid;N,N-diethylethanamine;dihydrochloride
CID 173065244

Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;2-[(2,2,2-trifluoroacetyl)amino]acetic acid?
The IUPAC name of N,N-diethylethanamine;2-[(2,2,2-trifluoroacetyl)amino]acetic acid (CID 86184993) is N,N-diethylethanamine;2-[(2,2,2-trifluoroacetyl)amino]acetic acid.
What is the SMILES notation for N,N-diethylethanamine;2-[(2,2,2-trifluoroacetyl)amino]acetic acid?
The canonical SMILES for N,N-diethylethanamine;2-[(2,2,2-trifluoroacetyl)amino]acetic acid is CCN(CC)CC.O=C(O)CNC(=O)C(F)(F)F.
What is the InChIKey of N,N-diethylethanamine;2-[(2,2,2-trifluoroacetyl)amino]acetic acid?
The InChIKey is MTOBBWSVOWVDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C4H4F3NO3/c1-4-7(5-2)6-3;5-4(6,7)3(11)8-1-2(9)10/h4-6H2,1-3H3;1H2,(H,8,11)(H,9,10).
What are the key properties of N,N-diethylethanamine;2-[(2,2,2-trifluoroacetyl)amino]acetic acid?
N,N-diethylethanamine;2-[(2,2,2-trifluoroacetyl)amino]acetic acid has a molecular weight of 272.27 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;2-[(2,2,2-trifluoroacetyl)amino]acetic acid is sourced from PubChem (CID 86184993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).