2-[cyclopropylmethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid

C10H15F3N2O3 — CID 43656735

IUPAC2-[cyclopropylmethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid
SMILESO=C(O)CN(CC(=O)NCC(F)(F)F)CC1CC1
InChIInChI=1S/C10H15F3N2O3/c11-10(12,13)6-14-8(16)4-15(5-9(17)18)3-7-1-2-7/h7H,1-6H2,(H,14,16)(H,17,18)
InChIKeyVKYUSABUPMSOCO-UHFFFAOYSA-N
MW268.23 g/mol
LogP0.46
Rot. Bonds7

About 2-[cyclopropylmethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid

2-[cyclopropylmethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid (PubChem CID 43656735) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid
PubChem CID43656735
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name2-[cyclopropylmethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid
SMILESO=C(O)CN(CC(=O)NCC(F)(F)F)CC1CC1
InChIInChI=1S/C10H15F3N2O3/c11-10(12,13)6-14-8(16)4-15(5-9(17)18)3-7-1-2-7/h7H,1-6H2,(H,14,16)(H,17,18)
InChIKeyVKYUSABUPMSOCO-UHFFFAOYSA-N
XLogP0.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid (CID 43656735) is 2-[cyclopropylmethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid is O=C(O)CN(CC(=O)NCC(F)(F)F)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid?
The InChIKey is VKYUSABUPMSOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c11-10(12,13)6-14-8(16)4-15(5-9(17)18)3-7-1-2-7/h7H,1-6H2,(H,14,16)(H,17,18).
What are the key properties of 2-[cyclopropylmethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid?
2-[cyclopropylmethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid has a molecular weight of 268.23 g/mol, XLogP of 0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid is sourced from PubChem (CID 43656735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).