2-[cyclopropyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid

C8H11F3N2O3 — CID 61185922

IUPAC2-[cyclopropyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)NCC(F)(F)F)C1CC1
InChIInChI=1S/C8H11F3N2O3/c9-8(10,11)4-12-7(16)13(3-6(14)15)5-1-2-5/h5H,1-4H2,(H,12,16)(H,14,15)
InChIKeyORVSGLNOYQEMRA-UHFFFAOYSA-N
MW240.18 g/mol
LogP0.81
Rot. Bonds4

About 2-[cyclopropyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid

2-[cyclopropyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid (PubChem CID 61185922) has the molecular formula C8H11F3N2O3 and a molecular weight of 240.18 g/mol. Its IUPAC name is 2-[cyclopropyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid
PubChem CID61185922
Molecular FormulaC8H11F3N2O3
Molecular Weight240.18 g/mol
Exact Mass240.07
IUPAC Name2-[cyclopropyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)NCC(F)(F)F)C1CC1
InChIInChI=1S/C8H11F3N2O3/c9-8(10,11)4-12-7(16)13(3-6(14)15)5-1-2-5/h5H,1-4H2,(H,12,16)(H,14,15)
InChIKeyORVSGLNOYQEMRA-UHFFFAOYSA-N
XLogP0.81
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid (CID 61185922) is 2-[cyclopropyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid is O=C(O)CN(C(=O)NCC(F)(F)F)C1CC1.
What is the InChIKey of 2-[cyclopropyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid?
The InChIKey is ORVSGLNOYQEMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O3/c9-8(10,11)4-12-7(16)13(3-6(14)15)5-1-2-5/h5H,1-4H2,(H,12,16)(H,14,15).
What are the key properties of 2-[cyclopropyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid?
2-[cyclopropyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid has a molecular weight of 240.18 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 61185922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).