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

C9H13F3N2O3 — CID 55009611

IUPAC2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C9H13F3N2O3/c1-13(4-7(15)16)8(17)14(6-2-3-6)5-9(10,11)12/h6H,2-5H2,1H3,(H,15,16)
InChIKeyGSMBNHDXNBSXLZ-UHFFFAOYSA-N
MW254.21 g/mol
LogP1.15
Rot. Bonds4

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

2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-methylamino]acetic acid (PubChem CID 55009611) has the molecular formula C9H13F3N2O3 and a molecular weight of 254.21 g/mol. Its IUPAC name is 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-methylamino]acetic acid
PubChem CID55009611
Molecular FormulaC9H13F3N2O3
Molecular Weight254.21 g/mol
Exact Mass254.09
IUPAC Name2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C9H13F3N2O3/c1-13(4-7(15)16)8(17)14(6-2-3-6)5-9(10,11)12/h6H,2-5H2,1H3,(H,15,16)
InChIKeyGSMBNHDXNBSXLZ-UHFFFAOYSA-N
XLogP1.15
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 51.15
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]-methylamino]acetic acid?
The IUPAC name of 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-methylamino]acetic acid (CID 55009611) is 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-methylamino]acetic acid is CN(CC(=O)O)C(=O)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-methylamino]acetic acid?
The InChIKey is GSMBNHDXNBSXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O3/c1-13(4-7(15)16)8(17)14(6-2-3-6)5-9(10,11)12/h6H,2-5H2,1H3,(H,15,16).
What are the key properties of 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-methylamino]acetic acid?
2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-methylamino]acetic acid has a molecular weight of 254.21 g/mol, XLogP of 1.15, 4 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]-methylamino]acetic acid is sourced from PubChem (CID 55009611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).