6,6-dimethyl-4-[2-[(2,2,2-trifluoroacetyl)amino]propyl]morpholine-3-carboxylic acid

C12H19F3N2O4 — CID 87484415

IUPAC6,6-dimethyl-4-[2-[(2,2,2-trifluoroacetyl)amino]propyl]morpholine-3-carboxylic acid
SMILESCC(CN1CC(C)(C)OCC1C(=O)O)NC(=O)C(F)(F)F
InChIInChI=1S/C12H19F3N2O4/c1-7(16-10(20)12(13,14)15)4-17-6-11(2,3)21-5-8(17)9(18)19/h7-8H,4-6H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyJHLZNIALQGNZAZ-UHFFFAOYSA-N
MW312.29 g/mol
LogP0.62
Rot. Bonds4

About 6,6-dimethyl-4-[2-[(2,2,2-trifluoroacetyl)amino]propyl]morpholine-3-carboxylic acid

6,6-dimethyl-4-[2-[(2,2,2-trifluoroacetyl)amino]propyl]morpholine-3-carboxylic acid (PubChem CID 87484415) has the molecular formula C12H19F3N2O4 and a molecular weight of 312.29 g/mol. Its IUPAC name is 6,6-dimethyl-4-[2-[(2,2,2-trifluoroacetyl)amino]propyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name6,6-dimethyl-4-[2-[(2,2,2-trifluoroacetyl)amino]propyl]morpholine-3-carboxylic acid
PubChem CID87484415
Molecular FormulaC12H19F3N2O4
Molecular Weight312.29 g/mol
Exact Mass312.13
IUPAC Name6,6-dimethyl-4-[2-[(2,2,2-trifluoroacetyl)amino]propyl]morpholine-3-carboxylic acid
SMILESCC(CN1CC(C)(C)OCC1C(=O)O)NC(=O)C(F)(F)F
InChIInChI=1S/C12H19F3N2O4/c1-7(16-10(20)12(13,14)15)4-17-6-11(2,3)21-5-8(17)9(18)19/h7-8H,4-6H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyJHLZNIALQGNZAZ-UHFFFAOYSA-N
XLogP0.62
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-4-[2-[(2,2,2-trifluoroacetyl)amino]propyl]morpholine-3-carboxylic acid?
The IUPAC name of 6,6-dimethyl-4-[2-[(2,2,2-trifluoroacetyl)amino]propyl]morpholine-3-carboxylic acid (CID 87484415) is 6,6-dimethyl-4-[2-[(2,2,2-trifluoroacetyl)amino]propyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 6,6-dimethyl-4-[2-[(2,2,2-trifluoroacetyl)amino]propyl]morpholine-3-carboxylic acid?
The canonical SMILES for 6,6-dimethyl-4-[2-[(2,2,2-trifluoroacetyl)amino]propyl]morpholine-3-carboxylic acid is CC(CN1CC(C)(C)OCC1C(=O)O)NC(=O)C(F)(F)F.
What is the InChIKey of 6,6-dimethyl-4-[2-[(2,2,2-trifluoroacetyl)amino]propyl]morpholine-3-carboxylic acid?
The InChIKey is JHLZNIALQGNZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O4/c1-7(16-10(20)12(13,14)15)4-17-6-11(2,3)21-5-8(17)9(18)19/h7-8H,4-6H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 6,6-dimethyl-4-[2-[(2,2,2-trifluoroacetyl)amino]propyl]morpholine-3-carboxylic acid?
6,6-dimethyl-4-[2-[(2,2,2-trifluoroacetyl)amino]propyl]morpholine-3-carboxylic acid has a molecular weight of 312.29 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-4-[2-[(2,2,2-trifluoroacetyl)amino]propyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 87484415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).