2-[(2-cyano-3,3,3-trifluoropropyl)-methylamino]acetic acid

C7H9F3N2O2 — CID 103371484

IUPAC2-[(2-cyano-3,3,3-trifluoropropyl)-methylamino]acetic acid
SMILESCN(CC(=O)O)CC(C#N)C(F)(F)F
InChIInChI=1S/C7H9F3N2O2/c1-12(4-6(13)14)3-5(2-11)7(8,9)10/h5H,3-4H2,1H3,(H,13,14)
InChIKeySPKOKBKZBOKEMP-UHFFFAOYSA-N
MW210.15 g/mol
LogP0.70
Rot. Bonds4

About 2-[(2-cyano-3,3,3-trifluoropropyl)-methylamino]acetic acid

2-[(2-cyano-3,3,3-trifluoropropyl)-methylamino]acetic acid (PubChem CID 103371484) has the molecular formula C7H9F3N2O2 and a molecular weight of 210.15 g/mol. Its IUPAC name is 2-[(2-cyano-3,3,3-trifluoropropyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-cyano-3,3,3-trifluoropropyl)-methylamino]acetic acid
PubChem CID103371484
Molecular FormulaC7H9F3N2O2
Molecular Weight210.15 g/mol
Exact Mass210.06
IUPAC Name2-[(2-cyano-3,3,3-trifluoropropyl)-methylamino]acetic acid
SMILESCN(CC(=O)O)CC(C#N)C(F)(F)F
InChIInChI=1S/C7H9F3N2O2/c1-12(4-6(13)14)3-5(2-11)7(8,9)10/h5H,3-4H2,1H3,(H,13,14)
InChIKeySPKOKBKZBOKEMP-UHFFFAOYSA-N
XLogP0.70
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.15
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]acetic acid
CID 103371514
2-[(2-cyano-3,3,3-trifluoropropyl)-propylamino]acetic acid
CID 103371515
methyl 3-[(2-cyano-3,3,3-trifluoropropyl)-methylamino]-2-methylpropanoate
CID 103372172
2-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid
CID 63900475
2-[(2-amino-2-oxoethyl)-(2-cyano-3,3,3-trifluoropropyl)amino]acetamide
CID 103367872
2-[[(2R)-2,5-dihydroxyheptyl]-methylamino]acetic acid
CID 175832916
2-[[benzyl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile
CID 103367652
2-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]-N-methylacetamide
CID 103367792
3,3,3-trifluoro-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]propanenitrile
CID 103367918
2-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]-N-propan-2-ylacetamide
CID 103367802
azanium 2-[methyl-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-hydroxynonyl)amino]acetic acid
CID 102295547
2-[fluoromethyl(methyl)amino]acetic acid
CID 87673073

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyano-3,3,3-trifluoropropyl)-methylamino]acetic acid?
The IUPAC name of 2-[(2-cyano-3,3,3-trifluoropropyl)-methylamino]acetic acid (CID 103371484) is 2-[(2-cyano-3,3,3-trifluoropropyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(2-cyano-3,3,3-trifluoropropyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(2-cyano-3,3,3-trifluoropropyl)-methylamino]acetic acid is CN(CC(=O)O)CC(C#N)C(F)(F)F.
What is the InChIKey of 2-[(2-cyano-3,3,3-trifluoropropyl)-methylamino]acetic acid?
The InChIKey is SPKOKBKZBOKEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O2/c1-12(4-6(13)14)3-5(2-11)7(8,9)10/h5H,3-4H2,1H3,(H,13,14).
What are the key properties of 2-[(2-cyano-3,3,3-trifluoropropyl)-methylamino]acetic acid?
2-[(2-cyano-3,3,3-trifluoropropyl)-methylamino]acetic acid has a molecular weight of 210.15 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyano-3,3,3-trifluoropropyl)-methylamino]acetic acid is sourced from PubChem (CID 103371484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).