2-[5,5-dimethyl-4-[methyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid

C12H19F3N2O4 — CID 166290720

IUPAC2-[5,5-dimethyl-4-[methyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid
SMILESCN(CC(F)(F)F)C(=O)N1CC(CC(=O)O)OCC1(C)C
InChIInChI=1S/C12H19F3N2O4/c1-11(2)7-21-8(4-9(18)19)5-17(11)10(20)16(3)6-12(13,14)15/h8H,4-7H2,1-3H3,(H,18,19)
InChIKeyHDRBQUROILKVOP-UHFFFAOYSA-N
MW312.29 g/mol
LogP1.55
Rot. Bonds3

About 2-[5,5-dimethyl-4-[methyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid

2-[5,5-dimethyl-4-[methyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid (PubChem CID 166290720) has the molecular formula C12H19F3N2O4 and a molecular weight of 312.29 g/mol. Its IUPAC name is 2-[5,5-dimethyl-4-[methyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5,5-dimethyl-4-[methyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid
PubChem CID166290720
Molecular FormulaC12H19F3N2O4
Molecular Weight312.29 g/mol
Exact Mass312.13
IUPAC Name2-[5,5-dimethyl-4-[methyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid
SMILESCN(CC(F)(F)F)C(=O)N1CC(CC(=O)O)OCC1(C)C
InChIInChI=1S/C12H19F3N2O4/c1-11(2)7-21-8(4-9(18)19)5-17(11)10(20)16(3)6-12(13,14)15/h8H,4-7H2,1-3H3,(H,18,19)
InChIKeyHDRBQUROILKVOP-UHFFFAOYSA-N
XLogP1.55
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-{4-[(Tert-butoxy)carbonyl]-5-(trifluoromethyl)morpholin-2-yl}acetic acid
CID 165948165
2-[4-[2-(2,2,2-Trifluoroethoxy)ethylcarbamoyl]morpholin-2-yl]acetic acid
CID 66433143
2-[4-[Methyl(3,3,3-trifluoropropyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66433547
2-[4-[Ethyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66433718
2-[4-[Cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66433720
2-[4-[Propyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66433912
2-[4-[Propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66433913
2-[4-(3,3,3-Trifluoropropylcarbamoyl)morpholin-2-yl]acetic acid
CID 66434885
2-[4-[Methyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66435431
2-[4-(2,2,2-Trifluoroethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435796
2-[4-[2-(2,2-Difluoroethoxy)ethylcarbamoyl]morpholin-2-yl]acetic acid
CID 105918916
2-[4-(4,4,4-Trifluorobutan-2-ylcarbamoyl)morpholin-2-yl]acetic acid
CID 105945204

Frequently Asked Questions

What is the IUPAC name of 2-[5,5-dimethyl-4-[methyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[5,5-dimethyl-4-[methyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid (CID 166290720) is 2-[5,5-dimethyl-4-[methyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[5,5-dimethyl-4-[methyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[5,5-dimethyl-4-[methyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid is CN(CC(F)(F)F)C(=O)N1CC(CC(=O)O)OCC1(C)C.
What is the InChIKey of 2-[5,5-dimethyl-4-[methyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid?
The InChIKey is HDRBQUROILKVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O4/c1-11(2)7-21-8(4-9(18)19)5-17(11)10(20)16(3)6-12(13,14)15/h8H,4-7H2,1-3H3,(H,18,19).
What are the key properties of 2-[5,5-dimethyl-4-[methyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid?
2-[5,5-dimethyl-4-[methyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid has a molecular weight of 312.29 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,5-dimethyl-4-[methyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 166290720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).