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

C12H19F3N2O4 — CID 66433912

IUPAC2-[4-[propyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid
SMILESCCCN(CC(F)(F)F)C(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C12H19F3N2O4/c1-2-3-17(8-12(13,14)15)11(20)16-4-5-21-9(7-16)6-10(18)19/h9H,2-8H2,1H3,(H,18,19)
InChIKeyXFRWGEMNKFUYDK-UHFFFAOYSA-N
MW312.29 g/mol
LogP1.56
Rot. Bonds5

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

2-[4-[propyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid (PubChem CID 66433912) has the molecular formula C12H19F3N2O4 and a molecular weight of 312.29 g/mol. Its IUPAC name is 2-[4-[propyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[propyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid
PubChem CID66433912
Molecular FormulaC12H19F3N2O4
Molecular Weight312.29 g/mol
Exact Mass312.13
IUPAC Name2-[4-[propyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid
SMILESCCCN(CC(F)(F)F)C(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C12H19F3N2O4/c1-2-3-17(8-12(13,14)15)11(20)16-4-5-21-9(7-16)6-10(18)19/h9H,2-8H2,1H3,(H,18,19)
InChIKeyXFRWGEMNKFUYDK-UHFFFAOYSA-N
XLogP1.56
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 51.56
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
3-[1-[Methyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-4-yl]oxypropanoic acid
CID 63876447
2-[4-(3,3,3-Trifluoropropanoyl)morpholin-2-yl]acetic acid
CID 66421566
2-[4-(4,4,4-Trifluorobutanoyl)morpholin-2-yl]acetic acid
CID 66421961
2-[4-[3-(2,2,2-Trifluoroethoxy)propyl]morpholin-2-yl]acetic acid
CID 66433115
2-[4-[2-(2,2,2-Trifluoroethoxy)ethylcarbamoyl]morpholin-2-yl]acetic acid
CID 66433143
2-[4-(2,2,2-Trifluoroethoxycarbonyl)morpholin-2-yl]acetic acid
CID 66433223
2-[4-(Trifluoroacetyl)morpholin-2-yl]acetic acid
CID 66433403
2-[4-[Methyl(3,3,3-trifluoropropyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66433547
2-[4-[2-(Trifluoromethoxy)ethyl]morpholin-2-yl]acetic acid
CID 66433686
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[propyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[propyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid (CID 66433912) is 2-[4-[propyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[propyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[propyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid is CCCN(CC(F)(F)F)C(=O)N1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-[propyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid?
The InChIKey is XFRWGEMNKFUYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O4/c1-2-3-17(8-12(13,14)15)11(20)16-4-5-21-9(7-16)6-10(18)19/h9H,2-8H2,1H3,(H,18,19).
What are the key properties of 2-[4-[propyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid?
2-[4-[propyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid has a molecular weight of 312.29 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[propyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 66433912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).