2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-ethylamino]acetic acid

C10H15F3N2O3 — CID 55009904

IUPAC2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H15F3N2O3/c1-2-14(5-8(16)17)9(18)15(7-3-4-7)6-10(11,12)13/h7H,2-6H2,1H3,(H,16,17)
InChIKeyDNJXIHUEXOPXCC-UHFFFAOYSA-N
MW268.23 g/mol
LogP1.54
Rot. Bonds5

About 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-ethylamino]acetic acid

2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-ethylamino]acetic acid (PubChem CID 55009904) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-ethylamino]acetic acid
PubChem CID55009904
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H15F3N2O3/c1-2-14(5-8(16)17)9(18)15(7-3-4-7)6-10(11,12)13/h7H,2-6H2,1H3,(H,16,17)
InChIKeyDNJXIHUEXOPXCC-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 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-ethylamino]acetic acid?
The IUPAC name of 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-ethylamino]acetic acid (CID 55009904) is 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-ethylamino]acetic acid is CCN(CC(=O)O)C(=O)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-ethylamino]acetic acid?
The InChIKey is DNJXIHUEXOPXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c1-2-14(5-8(16)17)9(18)15(7-3-4-7)6-10(11,12)13/h7H,2-6H2,1H3,(H,16,17).
What are the key properties of 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-ethylamino]acetic acid?
2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-ethylamino]acetic 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 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-ethylamino]acetic acid is sourced from PubChem (CID 55009904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).