2-[Morpholine-4-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid

C9H13F3N2O4 — CID 79258225

IUPAC2-[morpholine-4-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESC1COCCN1C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C9H13F3N2O4/c10-9(11,12)6-14(5-7(15)16)8(17)13-1-3-18-4-2-13/h1-6H2,(H,15,16)
InChIKeyHSCUTWUHCAKIBP-UHFFFAOYSA-N
MW270.21 g/mol
LogP0.10
Rot. Bonds3

About 2-[Morpholine-4-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid

2-[Morpholine-4-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258225) has the molecular formula C9H13F3N2O4 and a molecular weight of 270.21 g/mol. Its IUPAC name is 2-[morpholine-4-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[Morpholine-4-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258225
Molecular FormulaC9H13F3N2O4
Molecular Weight270.21 g/mol
Exact Mass270.08
IUPAC Name2-[morpholine-4-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESC1COCCN1C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C9H13F3N2O4/c10-9(11,12)6-14(5-7(15)16)8(17)13-1-3-18-4-2-13/h1-6H2,(H,15,16)
InChIKeyHSCUTWUHCAKIBP-UHFFFAOYSA-N
XLogP0.10
TPSA70.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity315

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Morpholine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 17845793
Ethyl 2-[methyl(morpholine-4-carbonyl)amino]acetate
CID 10014074
2-[[Dimorpholin-4-yl(thiophosphoroso)methyl]-(2,2,2-trifluoroacetyl)amino]acetic acid
CID 54256576
2-[Carboxymethyl-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]amino]acetic acid
CID 63834427
2-[4-[2-(2,2,2-Trifluoroethoxy)ethylcarbamoyl]piperazin-1-yl]acetic acid
CID 63834600
4-[Methyl(2,2,2-trifluoroethyl)carbamoyl]morpholine-3-carboxylic acid
CID 65528514
4-[Ethyl(2,2,2-trifluoroethyl)carbamoyl]morpholine-3-carboxylic acid
CID 65529106
2-[[(2-Methoxy-2-oxoethyl)-methylcarbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257793
2-[(2,6-Dimethylmorpholine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258700
2-[(2-Methylmorpholine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258791
2-[2-Morpholin-4-ylethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263444
2-[[4-(2-Hydroxyethyl)piperazine-1-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263675

Frequently Asked Questions

What is the IUPAC name of 2-[Morpholine-4-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[Morpholine-4-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258225) is 2-[morpholine-4-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[Morpholine-4-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[Morpholine-4-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid is C1COCCN1C(=O)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[Morpholine-4-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is HSCUTWUHCAKIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O4/c10-9(11,12)6-14(5-7(15)16)8(17)13-1-3-18-4-2-13/h1-6H2,(H,15,16).
What are the key properties of 2-[Morpholine-4-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid?
2-[Morpholine-4-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 270.21 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[Morpholine-4-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).