2-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethoxy]acetic acid

C13H14F3NO4 — CID 61327636

IUPAC2-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethoxy]acetic acid
SMILESCN(Cc1ccc(C(F)(F)F)cc1)C(=O)COCC(=O)O
InChIInChI=1S/C13H14F3NO4/c1-17(11(18)7-21-8-12(19)20)6-9-2-4-10(5-3-9)13(14,15)16/h2-5H,6-8H2,1H3,(H,19,20)
InChIKeyGSQQIXUKTBKEMO-UHFFFAOYSA-N
MW305.25 g/mol
LogP1.76
Rot. Bonds6

About 2-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethoxy]acetic acid

2-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethoxy]acetic acid (PubChem CID 61327636) has the molecular formula C13H14F3NO4 and a molecular weight of 305.25 g/mol. Its IUPAC name is 2-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethoxy]acetic acid
PubChem CID61327636
Molecular FormulaC13H14F3NO4
Molecular Weight305.25 g/mol
Exact Mass305.09
IUPAC Name2-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethoxy]acetic acid
SMILESCN(Cc1ccc(C(F)(F)F)cc1)C(=O)COCC(=O)O
InChIInChI=1S/C13H14F3NO4/c1-17(11(18)7-21-8-12(19)20)6-9-2-4-10(5-3-9)13(14,15)16/h2-5H,6-8H2,1H3,(H,19,20)
InChIKeyGSQQIXUKTBKEMO-UHFFFAOYSA-N
XLogP1.76
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.25
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethoxy]acetic acid (CID 61327636) is 2-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethoxy]acetic acid is CN(Cc1ccc(C(F)(F)F)cc1)C(=O)COCC(=O)O.
What is the InChIKey of 2-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethoxy]acetic acid?
The InChIKey is GSQQIXUKTBKEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO4/c1-17(11(18)7-21-8-12(19)20)6-9-2-4-10(5-3-9)13(14,15)16/h2-5H,6-8H2,1H3,(H,19,20).
What are the key properties of 2-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethoxy]acetic acid?
2-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethoxy]acetic acid has a molecular weight of 305.25 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 61327636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).