4-[2-(2,2,2-trifluoroethylamino)acetyl]morpholine-2-carboxylic acid

C9H13F3N2O4 — CID 79261444

IUPAC4-[2-(2,2,2-trifluoroethylamino)acetyl]morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)CNCC(F)(F)F)CCO1
InChIInChI=1S/C9H13F3N2O4/c10-9(11,12)5-13-3-7(15)14-1-2-18-6(4-14)8(16)17/h6,13H,1-5H2,(H,16,17)
InChIKeyJCHFMVSBBRJDAF-UHFFFAOYSA-N
MW270.21 g/mol
LogP-0.55
Rot. Bonds4

About 4-[2-(2,2,2-trifluoroethylamino)acetyl]morpholine-2-carboxylic acid

4-[2-(2,2,2-trifluoroethylamino)acetyl]morpholine-2-carboxylic acid (PubChem CID 79261444) has the molecular formula C9H13F3N2O4 and a molecular weight of 270.21 g/mol. Its IUPAC name is 4-[2-(2,2,2-trifluoroethylamino)acetyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-(2,2,2-trifluoroethylamino)acetyl]morpholine-2-carboxylic acid
PubChem CID79261444
Molecular FormulaC9H13F3N2O4
Molecular Weight270.21 g/mol
Exact Mass270.08
IUPAC Name4-[2-(2,2,2-trifluoroethylamino)acetyl]morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)CNCC(F)(F)F)CCO1
InChIInChI=1S/C9H13F3N2O4/c10-9(11,12)5-13-3-7(15)14-1-2-18-6(4-14)8(16)17/h6,13H,1-5H2,(H,16,17)
InChIKeyJCHFMVSBBRJDAF-UHFFFAOYSA-N
XLogP-0.55
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-3-carboxylic acid
CID 81121210
(2R)-4-(3-cyclobutylpropanoyl)morpholine-2-carboxylic acid
CID 129397543
4-(4,4,4-trifluoro-3-phenylbutanoyl)morpholine-2-carboxylic acid
CID 119238821
4-[2-(3-cyclopentylpropanoylamino)acetyl]morpholine-2-carboxylic acid
CID 119239938
1-piperidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone
CID 28596000
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
CID 103745543
4-(5-aminohexanoyl)morpholine-2-carboxylic acid
CID 82852225
(2R)-4-[3-[4-(trifluoromethyl)phenyl]propanoyl]morpholine-2-carboxylic acid
CID 124700706
(2R)-4-[2-[(2S)-oxolan-2-yl]acetyl]morpholine-2-carboxylic acid
CID 124512416
4-[2-[(2-methylpropan-2-yl)oxy]acetyl]morpholine-2-carboxylic acid
CID 112602092
4-(4-methylsulfanylbutanoyl)morpholine-2-carboxylic acid
CID 119357821
4-N-(2,2,2-trifluoroethyl)morpholine-2,4-dicarboxamide
CID 49471765

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,2,2-trifluoroethylamino)acetyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[2-(2,2,2-trifluoroethylamino)acetyl]morpholine-2-carboxylic acid (CID 79261444) is 4-[2-(2,2,2-trifluoroethylamino)acetyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[2-(2,2,2-trifluoroethylamino)acetyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[2-(2,2,2-trifluoroethylamino)acetyl]morpholine-2-carboxylic acid is O=C(O)C1CN(C(=O)CNCC(F)(F)F)CCO1.
What is the InChIKey of 4-[2-(2,2,2-trifluoroethylamino)acetyl]morpholine-2-carboxylic acid?
The InChIKey is JCHFMVSBBRJDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O4/c10-9(11,12)5-13-3-7(15)14-1-2-18-6(4-14)8(16)17/h6,13H,1-5H2,(H,16,17).
What are the key properties of 4-[2-(2,2,2-trifluoroethylamino)acetyl]morpholine-2-carboxylic acid?
4-[2-(2,2,2-trifluoroethylamino)acetyl]morpholine-2-carboxylic acid has a molecular weight of 270.21 g/mol, XLogP of -0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,2,2-trifluoroethylamino)acetyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 79261444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).