2-[4-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid

C12H19F3N2O4 — CID 66433913

IUPAC2-[4-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid
SMILESCC(C)N(CC(F)(F)F)C(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C12H19F3N2O4/c1-8(2)17(7-12(13,14)15)11(20)16-3-4-21-9(6-16)5-10(18)19/h8-9H,3-7H2,1-2H3,(H,18,19)
InChIKeyXUOFAKIAZAMDDD-UHFFFAOYSA-N
MW312.29 g/mol
LogP1.55
Rot. Bonds4

About 2-[4-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid

2-[4-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid (PubChem CID 66433913) has the molecular formula C12H19F3N2O4 and a molecular weight of 312.29 g/mol. Its IUPAC name is 2-[4-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid
PubChem CID66433913
Molecular FormulaC12H19F3N2O4
Molecular Weight312.29 g/mol
Exact Mass312.13
IUPAC Name2-[4-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid
SMILESCC(C)N(CC(F)(F)F)C(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C12H19F3N2O4/c1-8(2)17(7-12(13,14)15)11(20)16-3-4-21-9(6-16)5-10(18)19/h8-9H,3-7H2,1-2H3,(H,18,19)
InChIKeyXUOFAKIAZAMDDD-UHFFFAOYSA-N
XLogP1.55
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 2-[4-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid (CID 66433913) is 2-[4-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid is CC(C)N(CC(F)(F)F)C(=O)N1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid?
The InChIKey is XUOFAKIAZAMDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O4/c1-8(2)17(7-12(13,14)15)11(20)16-3-4-21-9(6-16)5-10(18)19/h8-9H,3-7H2,1-2H3,(H,18,19).
What are the key properties of 2-[4-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid?
2-[4-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid has a molecular weight of 312.29 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 66433913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).