2-[2-methylpropyl(3,3,3-trifluoropropanoyl)amino]acetic acid

C9H14F3NO3 — CID 63071858

IUPAC2-[2-methylpropyl(3,3,3-trifluoropropanoyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)CC(F)(F)F
InChIInChI=1S/C9H14F3NO3/c1-6(2)4-13(5-8(15)16)7(14)3-9(10,11)12/h6H,3-5H2,1-2H3,(H,15,16)
InChIKeyIPEHDHHILXIBON-UHFFFAOYSA-N
MW241.21 g/mol
LogP1.51
Rot. Bonds5

About 2-[2-methylpropyl(3,3,3-trifluoropropanoyl)amino]acetic acid

2-[2-methylpropyl(3,3,3-trifluoropropanoyl)amino]acetic acid (PubChem CID 63071858) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is 2-[2-methylpropyl(3,3,3-trifluoropropanoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methylpropyl(3,3,3-trifluoropropanoyl)amino]acetic acid
PubChem CID63071858
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC Name2-[2-methylpropyl(3,3,3-trifluoropropanoyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)CC(F)(F)F
InChIInChI=1S/C9H14F3NO3/c1-6(2)4-13(5-8(15)16)7(14)3-9(10,11)12/h6H,3-5H2,1-2H3,(H,15,16)
InChIKeyIPEHDHHILXIBON-UHFFFAOYSA-N
XLogP1.51
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2-methylpropyl(3,3,3-trifluoropropanoyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(N,2-dimethylpropanamido)acetic acid
CID 15640234
N-Methyl-N-(3-methyl-1-oxobutyl)glycine
CID 137394
2-[2-Oxopropyl-(2,2,2-trifluoroacetyl)amino]acetic acid
CID 23539839
2-[(2,2-Difluoro-4-methylpentanoyl)-methylamino]acetic acid
CID 57700729
2-(2,2,2-trifluoro-N-methylacetamido)propanoic acid
CID 62626751
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-[Tert-butyl(3,4,4-trifluorobut-3-enoyl)amino]acetic acid
CID 88326978
2-[2,2-Difluorobutanoyl(methyl)amino]acetic acid
CID 88907353
(2S)-2-(2,2,2-trifluoro-N-methylacetamido)propanoic acid
CID 94520530
Carboxymethyl-dimethyl-[3-[methyl-(2,2,2-trifluoroacetyl)amino]propyl]azanium
CID 130266503

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl(3,3,3-trifluoropropanoyl)amino]acetic acid?
The IUPAC name of 2-[2-methylpropyl(3,3,3-trifluoropropanoyl)amino]acetic acid (CID 63071858) is 2-[2-methylpropyl(3,3,3-trifluoropropanoyl)amino]acetic acid.
What is the SMILES notation for 2-[2-methylpropyl(3,3,3-trifluoropropanoyl)amino]acetic acid?
The canonical SMILES for 2-[2-methylpropyl(3,3,3-trifluoropropanoyl)amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)CC(F)(F)F.
What is the InChIKey of 2-[2-methylpropyl(3,3,3-trifluoropropanoyl)amino]acetic acid?
The InChIKey is IPEHDHHILXIBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO3/c1-6(2)4-13(5-8(15)16)7(14)3-9(10,11)12/h6H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 2-[2-methylpropyl(3,3,3-trifluoropropanoyl)amino]acetic acid?
2-[2-methylpropyl(3,3,3-trifluoropropanoyl)amino]acetic acid has a molecular weight of 241.21 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl(3,3,3-trifluoropropanoyl)amino]acetic acid is sourced from PubChem (CID 63071858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).