2-[cyclopentylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid

C11H17F3N2O3 — CID 79266260

IUPAC2-[cyclopentylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)NCC1CCCC1
InChIInChI=1S/C11H17F3N2O3/c12-11(13,14)7-16(6-9(17)18)10(19)15-5-8-3-1-2-4-8/h8H,1-7H2,(H,15,19)(H,17,18)
InChIKeyDNYQZKTWCXTESD-UHFFFAOYSA-N
MW282.26 g/mol
LogP1.84
Rot. Bonds5

About 2-[cyclopentylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid

2-[cyclopentylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79266260) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 2-[cyclopentylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79266260
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name2-[cyclopentylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)NCC1CCCC1
InChIInChI=1S/C11H17F3N2O3/c12-11(13,14)7-16(6-9(17)18)10(19)15-5-8-3-1-2-4-8/h8H,1-7H2,(H,15,19)(H,17,18)
InChIKeyDNYQZKTWCXTESD-UHFFFAOYSA-N
XLogP1.84
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[cyclopentylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid (CID 79266260) is 2-[cyclopentylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopentylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopentylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(F)(F)F)C(=O)NCC1CCCC1.
What is the InChIKey of 2-[cyclopentylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is DNYQZKTWCXTESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c12-11(13,14)7-16(6-9(17)18)10(19)15-5-8-3-1-2-4-8/h8H,1-7H2,(H,15,19)(H,17,18).
What are the key properties of 2-[cyclopentylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
2-[cyclopentylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 282.26 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79266260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).