2-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid

C6H10F3NO3 — CID 63900475

IUPAC2-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid
SMILESCN(CC(=O)O)CC(O)C(F)(F)F
InChIInChI=1S/C6H10F3NO3/c1-10(3-5(12)13)2-4(11)6(7,8)9/h4,11H,2-3H2,1H3,(H,12,13)
InChIKeyZYLOVPJNGAUIHH-UHFFFAOYSA-N
MW201.14 g/mol
LogP-0.07
Rot. Bonds4

About 2-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid

2-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid (PubChem CID 63900475) has the molecular formula C6H10F3NO3 and a molecular weight of 201.14 g/mol. Its IUPAC name is 2-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid
PubChem CID63900475
Molecular FormulaC6H10F3NO3
Molecular Weight201.14 g/mol
Exact Mass201.06
IUPAC Name2-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid
SMILESCN(CC(=O)O)CC(O)C(F)(F)F
InChIInChI=1S/C6H10F3NO3/c1-10(3-5(12)13)2-4(11)6(7,8)9/h4,11H,2-3H2,1H3,(H,12,13)
InChIKeyZYLOVPJNGAUIHH-UHFFFAOYSA-N
XLogP-0.07
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.14
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[carboxymethyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid
CID 63901716
2-[2-(dimethylamino)ethyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid
CID 107426053
2-[[(2R)-2,5-dihydroxyheptyl]-methylamino]acetic acid
CID 175832916
2-[(2-cyano-3,3,3-trifluoropropyl)-methylamino]acetic acid
CID 103371484
3-[2,2-dimethylpropyl(methyl)amino]-1,1,1-trifluoropropan-2-ol
CID 63900832
2-[prop-2-ynyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid
CID 79275243
2-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetonitrile
CID 63900671
3-[benzyl(methyl)amino]-1,1,1-trifluoropropan-2-ol
CID 2765888
tert-butyl N-methyl-N-[2-[methyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]amino]ethyl]carbamate
CID 118190372
azanium 2-[methyl-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-hydroxynonyl)amino]acetic acid
CID 102295547
tert-butyl N-methyl-N-[2-[methyl-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]amino]ethyl]carbamate
CID 118190458
2-[fluoromethyl(methyl)amino]acetic acid
CID 87673073

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid?
The IUPAC name of 2-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid (CID 63900475) is 2-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid?
The canonical SMILES for 2-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid is CN(CC(=O)O)CC(O)C(F)(F)F.
What is the InChIKey of 2-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid?
The InChIKey is ZYLOVPJNGAUIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO3/c1-10(3-5(12)13)2-4(11)6(7,8)9/h4,11H,2-3H2,1H3,(H,12,13).
What are the key properties of 2-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid?
2-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid has a molecular weight of 201.14 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid is sourced from PubChem (CID 63900475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).