3-[cyclopropyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid

C10H15F3N2O3 — CID 61204773

IUPAC3-[cyclopropyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
SMILESCN(CC(F)(F)F)C(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C10H15F3N2O3/c1-14(6-10(11,12)13)9(18)15(7-2-3-7)5-4-8(16)17/h7H,2-6H2,1H3,(H,16,17)
InChIKeyXYGZRQMZOFSNII-UHFFFAOYSA-N
MW268.23 g/mol
LogP1.54
Rot. Bonds5

About 3-[cyclopropyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid

3-[cyclopropyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid (PubChem CID 61204773) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is 3-[cyclopropyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
PubChem CID61204773
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name3-[cyclopropyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
SMILESCN(CC(F)(F)F)C(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C10H15F3N2O3/c1-14(6-10(11,12)13)9(18)15(7-2-3-7)5-4-8(16)17/h7H,2-6H2,1H3,(H,16,17)
InChIKeyXYGZRQMZOFSNII-UHFFFAOYSA-N
XLogP1.54
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid (CID 61204773) is 3-[cyclopropyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid is CN(CC(F)(F)F)C(=O)N(CCC(=O)O)C1CC1.
What is the InChIKey of 3-[cyclopropyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid?
The InChIKey is XYGZRQMZOFSNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c1-14(6-10(11,12)13)9(18)15(7-2-3-7)5-4-8(16)17/h7H,2-6H2,1H3,(H,16,17).
What are the key properties of 3-[cyclopropyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid?
3-[cyclopropyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid has a molecular weight of 268.23 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 61204773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).