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

C9H16F3NO2 — CID 64566123

IUPAC2-[2-methylpropyl(3,3,3-trifluoropropyl)amino]acetic acid
SMILESCC(C)CN(CCC(F)(F)F)CC(=O)O
InChIInChI=1S/C9H16F3NO2/c1-7(2)5-13(6-8(14)15)4-3-9(10,11)12/h7H,3-6H2,1-2H3,(H,14,15)
InChIKeyJLXOETXECZVWIQ-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.98
Rot. Bonds6

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

2-[2-methylpropyl(3,3,3-trifluoropropyl)amino]acetic acid (PubChem CID 64566123) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is 2-[2-methylpropyl(3,3,3-trifluoropropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methylpropyl(3,3,3-trifluoropropyl)amino]acetic acid
PubChem CID64566123
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name2-[2-methylpropyl(3,3,3-trifluoropropyl)amino]acetic acid
SMILESCC(C)CN(CCC(F)(F)F)CC(=O)O
InChIInChI=1S/C9H16F3NO2/c1-7(2)5-13(6-8(14)15)4-3-9(10,11)12/h7H,3-6H2,1-2H3,(H,14,15)
InChIKeyJLXOETXECZVWIQ-UHFFFAOYSA-N
XLogP1.98
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[ethyl(2-methylpropyl)amino]acetic acid
CID 43273893
N'-(2-methylpropyl)-N'-(3,3,3-trifluoropropyl)ethane-1,2-diamine
CID 64566711
2-[but-3-ynyl(2-methylpropyl)amino]acetic acid
CID 63065219
2-[6-hydroxyhexyl(2-methylpropyl)amino]acetic acid
CID 107704554
2-[2-methylpropyl(2-propylsulfonylethyl)amino]acetic acid
CID 106727514
2-[cyclopropylmethyl(3,3,3-trifluoropropyl)amino]acetic acid
CID 64566526
2-[2-(dimethylamino)ethyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid
CID 107426053
2-[2-methylpropyl(4,4,4-trifluorobutylcarbamoyl)amino]acetic acid
CID 113327921
2-[2-methylpropyl(trifluoromethylsulfonyl)amino]acetic acid
CID 63066774
2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-(carboxymethyl)amino]acetic acid
CID 63645438
2-[2-methylpropyl-[4-(oxan-4-yl)butyl]amino]acetic acid
CID 114191542
2-[2-[2-[carboxymethyl-[2-(carboxymethylamino)ethyl]amino]ethyl-(2-methylpropyl)amino]ethylamino]acetic acid
CID 163563898

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl(3,3,3-trifluoropropyl)amino]acetic acid?
The IUPAC name of 2-[2-methylpropyl(3,3,3-trifluoropropyl)amino]acetic acid (CID 64566123) is 2-[2-methylpropyl(3,3,3-trifluoropropyl)amino]acetic acid.
What is the SMILES notation for 2-[2-methylpropyl(3,3,3-trifluoropropyl)amino]acetic acid?
The canonical SMILES for 2-[2-methylpropyl(3,3,3-trifluoropropyl)amino]acetic acid is CC(C)CN(CCC(F)(F)F)CC(=O)O.
What is the InChIKey of 2-[2-methylpropyl(3,3,3-trifluoropropyl)amino]acetic acid?
The InChIKey is JLXOETXECZVWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c1-7(2)5-13(6-8(14)15)4-3-9(10,11)12/h7H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 2-[2-methylpropyl(3,3,3-trifluoropropyl)amino]acetic acid?
2-[2-methylpropyl(3,3,3-trifluoropropyl)amino]acetic acid has a molecular weight of 227.23 g/mol, XLogP of 1.98, 6 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-trifluoropropyl)amino]acetic acid is sourced from PubChem (CID 64566123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).