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

C12H17F3N2O4 — CID 66433720

IUPAC2-[4-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)N(CC(F)(F)F)C2CC2)CCO1
InChIInChI=1S/C12H17F3N2O4/c13-12(14,15)7-17(8-1-2-8)11(20)16-3-4-21-9(6-16)5-10(18)19/h8-9H,1-7H2,(H,18,19)
InChIKeyCAQXLENUDCGOSJ-UHFFFAOYSA-N
MW310.27 g/mol
LogP1.31
Rot. Bonds4

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

2-[4-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid (PubChem CID 66433720) has the molecular formula C12H17F3N2O4 and a molecular weight of 310.27 g/mol. Its IUPAC name is 2-[4-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid
PubChem CID66433720
Molecular FormulaC12H17F3N2O4
Molecular Weight310.27 g/mol
Exact Mass310.11
IUPAC Name2-[4-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)N(CC(F)(F)F)C2CC2)CCO1
InChIInChI=1S/C12H17F3N2O4/c13-12(14,15)7-17(8-1-2-8)11(20)16-3-4-21-9(6-16)5-10(18)19/h8-9H,1-7H2,(H,18,19)
InChIKeyCAQXLENUDCGOSJ-UHFFFAOYSA-N
XLogP1.31
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid (CID 66433720) is 2-[4-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid is O=C(O)CC1CN(C(=O)N(CC(F)(F)F)C2CC2)CCO1.
What is the InChIKey of 2-[4-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid?
The InChIKey is CAQXLENUDCGOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O4/c13-12(14,15)7-17(8-1-2-8)11(20)16-3-4-21-9(6-16)5-10(18)19/h8-9H,1-7H2,(H,18,19).
What are the key properties of 2-[4-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid?
2-[4-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid has a molecular weight of 310.27 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 66433720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).