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

C10H15F3N2O5 — CID 81204721

IUPAC2-[[2-(hydroxymethyl)morpholine-4-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)N1CCOC(CO)C1
InChIInChI=1S/C10H15F3N2O5/c11-10(12,13)6-15(4-8(17)18)9(19)14-1-2-20-7(3-14)5-16/h7,16H,1-6H2,(H,17,18)
InChIKeyVKNJLVSLSZNBSX-UHFFFAOYSA-N
MW300.23 g/mol
LogP-0.25
Rot. Bonds4

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

2-[[2-(hydroxymethyl)morpholine-4-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 81204721) has the molecular formula C10H15F3N2O5 and a molecular weight of 300.23 g/mol. Its IUPAC name is 2-[[2-(hydroxymethyl)morpholine-4-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(hydroxymethyl)morpholine-4-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID81204721
Molecular FormulaC10H15F3N2O5
Molecular Weight300.23 g/mol
Exact Mass300.09
IUPAC Name2-[[2-(hydroxymethyl)morpholine-4-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)N1CCOC(CO)C1
InChIInChI=1S/C10H15F3N2O5/c11-10(12,13)6-15(4-8(17)18)9(19)14-1-2-20-7(3-14)5-16/h7,16H,1-6H2,(H,17,18)
InChIKeyVKNJLVSLSZNBSX-UHFFFAOYSA-N
XLogP-0.25
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(hydroxymethyl)morpholine-4-carbonyl]-methylamino]acetic acid
CID 81204430
2-[azepane-1-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258890
2-[[2-(hydroxymethyl)morpholine-4-carbonyl]-methylamino]-2-methylpropanoic acid
CID 81204121
2-[(2-ethylmorpholine-4-carbonyl)-propylamino]acetic acid
CID 61203406
2-fluoro-1-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one
CID 130165226
2-[4-(diethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435597
2-(hydroxymethyl)-N,N-diphenylmorpholine-4-carboxamide
CID 75476548
2-[(2-ethylmorpholine-4-carbonyl)-prop-2-ynylamino]acetic acid
CID 79283600
3-[2-(hydroxymethyl)morpholin-4-yl]-2,2-dimethyl-3-oxopropanoic acid
CID 82820748
2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 81116489
2-amino-3,3,3-trifluoro-1-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one
CID 81202845
cyclopropyl-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208707

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(hydroxymethyl)morpholine-4-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[[2-(hydroxymethyl)morpholine-4-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid (CID 81204721) is 2-[[2-(hydroxymethyl)morpholine-4-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-(hydroxymethyl)morpholine-4-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-(hydroxymethyl)morpholine-4-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(F)(F)F)C(=O)N1CCOC(CO)C1.
What is the InChIKey of 2-[[2-(hydroxymethyl)morpholine-4-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is VKNJLVSLSZNBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O5/c11-10(12,13)6-15(4-8(17)18)9(19)14-1-2-20-7(3-14)5-16/h7,16H,1-6H2,(H,17,18).
What are the key properties of 2-[[2-(hydroxymethyl)morpholine-4-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[[2-(hydroxymethyl)morpholine-4-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 300.23 g/mol, XLogP of -0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(hydroxymethyl)morpholine-4-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 81204721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).