2-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid

C12H21F3N2O3 — CID 79258275

IUPAC2-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC(C)N(C(=O)CN(CC(=O)O)CC(F)(F)F)C(C)C
InChIInChI=1S/C12H21F3N2O3/c1-8(2)17(9(3)4)10(18)5-16(6-11(19)20)7-12(13,14)15/h8-9H,5-7H2,1-4H3,(H,19,20)
InChIKeyIGZREEZKPJOQHV-UHFFFAOYSA-N
MW298.31 g/mol
LogP1.58
Rot. Bonds7

About 2-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid

2-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258275) has the molecular formula C12H21F3N2O3 and a molecular weight of 298.31 g/mol. Its IUPAC name is 2-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258275
Molecular FormulaC12H21F3N2O3
Molecular Weight298.31 g/mol
Exact Mass298.15
IUPAC Name2-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC(C)N(C(=O)CN(CC(=O)O)CC(F)(F)F)C(C)C
InChIInChI=1S/C12H21F3N2O3/c1-8(2)17(9(3)4)10(18)5-16(6-11(19)20)7-12(13,14)15/h8-9H,5-7H2,1-4H3,(H,19,20)
InChIKeyIGZREEZKPJOQHV-UHFFFAOYSA-N
XLogP1.58
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-methylamino]acetic acid
CID 43442430
2-[[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79262438
2-[but-2-ynyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257955
2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]-propan-2-ylamino]acetic acid
CID 61204584
3-[di(propan-2-yl)amino]-3-oxopropanoic acid;N,N-di(propan-2-yl)propanamide
CID 158012877
2-[3-ethoxypropyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258337
2-[butan-2-yl-[2-[di(propan-2-yl)amino]-2-oxoethyl]amino]acetic acid
CID 54925680
2-[decyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266101
2-(dimethylamino)-N,N-di(propan-2-yl)acetamide
CID 15050138
2-[[2-(azepan-1-yl)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257938
2-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257704
2-[2-methylpropyl(3,3,3-trifluoropropyl)amino]acetic acid
CID 64566123

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258275) is 2-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid is CC(C)N(C(=O)CN(CC(=O)O)CC(F)(F)F)C(C)C.
What is the InChIKey of 2-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is IGZREEZKPJOQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O3/c1-8(2)17(9(3)4)10(18)5-16(6-11(19)20)7-12(13,14)15/h8-9H,5-7H2,1-4H3,(H,19,20).
What are the key properties of 2-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 298.31 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).