2-[2-methoxyethyl-[3-(trifluoromethyl)piperidine-1-carbonyl]amino]acetic acid

C12H19F3N2O4 — CID 79272734

IUPAC2-[2-methoxyethyl-[3-(trifluoromethyl)piperidine-1-carbonyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H19F3N2O4/c1-21-6-5-17(8-10(18)19)11(20)16-4-2-3-9(7-16)12(13,14)15/h9H,2-8H2,1H3,(H,18,19)
InChIKeyJKCVYZCLCFHQCC-UHFFFAOYSA-N
MW312.29 g/mol
LogP1.41
Rot. Bonds5

About 2-[2-methoxyethyl-[3-(trifluoromethyl)piperidine-1-carbonyl]amino]acetic acid

2-[2-methoxyethyl-[3-(trifluoromethyl)piperidine-1-carbonyl]amino]acetic acid (PubChem CID 79272734) has the molecular formula C12H19F3N2O4 and a molecular weight of 312.29 g/mol. Its IUPAC name is 2-[2-methoxyethyl-[3-(trifluoromethyl)piperidine-1-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl-[3-(trifluoromethyl)piperidine-1-carbonyl]amino]acetic acid
PubChem CID79272734
Molecular FormulaC12H19F3N2O4
Molecular Weight312.29 g/mol
Exact Mass312.13
IUPAC Name2-[2-methoxyethyl-[3-(trifluoromethyl)piperidine-1-carbonyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H19F3N2O4/c1-21-6-5-17(8-10(18)19)11(20)16-4-2-3-9(7-16)12(13,14)15/h9H,2-8H2,1H3,(H,18,19)
InChIKeyJKCVYZCLCFHQCC-UHFFFAOYSA-N
XLogP1.41
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methoxycarbonylpiperidine-1-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 115535207
2-[2-methoxyethyl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]acetic acid
CID 114490470
2-amino-3-methoxy-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 81082796
N,N-bis(2-methoxyethyl)piperidine-1-carboxamide
CID 115578688
1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 60655671
1-[2-cyanoethyl(2-methoxyethyl)carbamoyl]piperidine-3-carboxylic acid
CID 63286603
2-[(2-ethoxycarbonylpyrrolidine-1-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 79270281
2-[(2,2-dimethylmorpholine-4-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 79270357
(3S)-3-(trifluoromethyl)piperidine-1-carbonyl chloride
CID 165491183
2,2,2-trifluoro-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 62733731
2-[ethyl-[3-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid
CID 122025951
3-chloro-2-methyl-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 62727952

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-[3-(trifluoromethyl)piperidine-1-carbonyl]amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl-[3-(trifluoromethyl)piperidine-1-carbonyl]amino]acetic acid (CID 79272734) is 2-[2-methoxyethyl-[3-(trifluoromethyl)piperidine-1-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl-[3-(trifluoromethyl)piperidine-1-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl-[3-(trifluoromethyl)piperidine-1-carbonyl]amino]acetic acid is COCCN(CC(=O)O)C(=O)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-[2-methoxyethyl-[3-(trifluoromethyl)piperidine-1-carbonyl]amino]acetic acid?
The InChIKey is JKCVYZCLCFHQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O4/c1-21-6-5-17(8-10(18)19)11(20)16-4-2-3-9(7-16)12(13,14)15/h9H,2-8H2,1H3,(H,18,19).
What are the key properties of 2-[2-methoxyethyl-[3-(trifluoromethyl)piperidine-1-carbonyl]amino]acetic acid?
2-[2-methoxyethyl-[3-(trifluoromethyl)piperidine-1-carbonyl]amino]acetic acid has a molecular weight of 312.29 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-[3-(trifluoromethyl)piperidine-1-carbonyl]amino]acetic acid is sourced from PubChem (CID 79272734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).