2-[2-methylpropyl-(2,2,2-trifluoroacetyl)amino]acetic acid

C8H12F3NO3 — CID 11401896

IUPAC2-[2-methylpropyl-(2,2,2-trifluoroacetyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)C(F)(F)F
InChIInChI=1S/C8H12F3NO3/c1-5(2)3-12(4-6(13)14)7(15)8(9,10)11/h5H,3-4H2,1-2H3,(H,13,14)
InChIKeyMHMKHALDGSOTLV-UHFFFAOYSA-N
MW227.18 g/mol
LogP1.12
Rot. Bonds4

About 2-[2-methylpropyl-(2,2,2-trifluoroacetyl)amino]acetic acid

2-[2-methylpropyl-(2,2,2-trifluoroacetyl)amino]acetic acid (PubChem CID 11401896) has the molecular formula C8H12F3NO3 and a molecular weight of 227.18 g/mol. Its IUPAC name is 2-[2-methylpropyl-(2,2,2-trifluoroacetyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methylpropyl-(2,2,2-trifluoroacetyl)amino]acetic acid
PubChem CID11401896
Molecular FormulaC8H12F3NO3
Molecular Weight227.18 g/mol
Exact Mass227.08
IUPAC Name2-[2-methylpropyl-(2,2,2-trifluoroacetyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)C(F)(F)F
InChIInChI=1S/C8H12F3NO3/c1-5(2)3-12(4-6(13)14)7(15)8(9,10)11/h5H,3-4H2,1-2H3,(H,13,14)
InChIKeyMHMKHALDGSOTLV-UHFFFAOYSA-N
XLogP1.12
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N,2-dimethylpropanamido)acetic acid
CID 15640234
2-(2,2,2-Trifluoro-N-Methylacetamido)Acetic Acid
CID 261948
2-[2-Oxopropyl-(2,2,2-trifluoroacetyl)amino]acetic acid
CID 23539839
2-[Ethyl(2,2,2-trifluoroethyl)amino]-2-oxoacetic acid
CID 61607634
2-[2-Methylpropyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 63065927
(2S)-2-[acetyl(ethyl)amino]-2,3,3-trifluoropropanoic acid
CID 87382971
2-[Carboxymethyl(2-methylpropyl)amino]acetic acid;2,2,2-trifluoroacetic acid
CID 87845497
2-[2,2-Difluorobutanoyl(methyl)amino]acetic acid
CID 88907353
2-[Formyl(3,3,3-trifluoropropyl)amino]acetic acid
CID 89255481
2-[Carboxy-(2-fluoro-2-methylbutyl)amino]acetic acid
CID 126583619
Carboxymethyl-dimethyl-[3-[methyl-(2,2,2-trifluoroacetyl)amino]propyl]azanium
CID 130266503
2-[Dimethyl-[3-[methyl-(2,2,2-trifluoroacetyl)amino]propyl]azaniumyl]acetate
CID 140799708

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl-(2,2,2-trifluoroacetyl)amino]acetic acid?
The IUPAC name of 2-[2-methylpropyl-(2,2,2-trifluoroacetyl)amino]acetic acid (CID 11401896) is 2-[2-methylpropyl-(2,2,2-trifluoroacetyl)amino]acetic acid.
What is the SMILES notation for 2-[2-methylpropyl-(2,2,2-trifluoroacetyl)amino]acetic acid?
The canonical SMILES for 2-[2-methylpropyl-(2,2,2-trifluoroacetyl)amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)C(F)(F)F.
What is the InChIKey of 2-[2-methylpropyl-(2,2,2-trifluoroacetyl)amino]acetic acid?
The InChIKey is MHMKHALDGSOTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO3/c1-5(2)3-12(4-6(13)14)7(15)8(9,10)11/h5H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 2-[2-methylpropyl-(2,2,2-trifluoroacetyl)amino]acetic acid?
2-[2-methylpropyl-(2,2,2-trifluoroacetyl)amino]acetic acid has a molecular weight of 227.18 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl-(2,2,2-trifluoroacetyl)amino]acetic acid is sourced from PubChem (CID 11401896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).