2-[4-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]morpholin-2-yl]acetic acid

C11H15F3N2O4 — CID 106216443

IUPAC2-[4-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)NC2(C(F)(F)F)CC2)CCO1
InChIInChI=1S/C11H15F3N2O4/c12-11(13,14)10(1-2-10)15-9(19)16-3-4-20-7(6-16)5-8(17)18/h7H,1-6H2,(H,15,19)(H,17,18)
InChIKeyPIINZPPTDPASHD-UHFFFAOYSA-N
MW296.25 g/mol
LogP0.97
Rot. Bonds3

About 2-[4-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]morpholin-2-yl]acetic acid

2-[4-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]morpholin-2-yl]acetic acid (PubChem CID 106216443) has the molecular formula C11H15F3N2O4 and a molecular weight of 296.25 g/mol. Its IUPAC name is 2-[4-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]morpholin-2-yl]acetic acid
PubChem CID106216443
Molecular FormulaC11H15F3N2O4
Molecular Weight296.25 g/mol
Exact Mass296.10
IUPAC Name2-[4-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)NC2(C(F)(F)F)CC2)CCO1
InChIInChI=1S/C11H15F3N2O4/c12-11(13,14)10(1-2-10)15-9(19)16-3-4-20-7(6-16)5-8(17)18/h7H,1-6H2,(H,15,19)(H,17,18)
InChIKeyPIINZPPTDPASHD-UHFFFAOYSA-N
XLogP0.97
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]pyrrolidin-3-yl]acetic acid
CID 106216353
2-[4-(3,3-dimethylbutan-2-ylcarbamoyl)morpholin-2-yl]acetic acid
CID 104829302
2-[4-[(2-methylcyclopropyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66435660
2-[4-(2,2-dimethylpropanoyl)morpholin-2-yl]acetic acid
CID 66420375
2-[4-(3-methylbutylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435211
2-[4-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]morpholin-2-yl]acetic acid
CID 106097890
2-[4-[(2,2-dimethyloxan-4-yl)carbamoyl]morpholin-2-yl]acetic acid
CID 83034767
2-[4-(2-pyrrolidin-1-ylethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66436055
1-[(2-ethylmorpholine-4-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81163145
2-[4-(1-cyclopropylethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435617
2-[4-(diethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435597
2-[4-(4-hydroxypiperidine-1-carbonyl)morpholin-2-yl]acetic acid
CID 66433665

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]morpholin-2-yl]acetic acid (CID 106216443) is 2-[4-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]morpholin-2-yl]acetic acid is O=C(O)CC1CN(C(=O)NC2(C(F)(F)F)CC2)CCO1.
What is the InChIKey of 2-[4-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]morpholin-2-yl]acetic acid?
The InChIKey is PIINZPPTDPASHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O4/c12-11(13,14)10(1-2-10)15-9(19)16-3-4-20-7(6-16)5-8(17)18/h7H,1-6H2,(H,15,19)(H,17,18).
What are the key properties of 2-[4-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]morpholin-2-yl]acetic acid?
2-[4-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]morpholin-2-yl]acetic acid has a molecular weight of 296.25 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 106216443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).