2-[2-[(1-ethylpiperidin-4-yl)-methylamino]-2-oxoethoxy]acetic acid

C12H22N2O4 — CID 61326862

IUPAC2-[2-[(1-ethylpiperidin-4-yl)-methylamino]-2-oxoethoxy]acetic acid
SMILESCCN1CCC(N(C)C(=O)COCC(=O)O)CC1
InChIInChI=1S/C12H22N2O4/c1-3-14-6-4-10(5-7-14)13(2)11(15)8-18-9-12(16)17/h10H,3-9H2,1-2H3,(H,16,17)
InChIKeyQUBMGNWIMTYKDS-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.03
Rot. Bonds6

About 2-[2-[(1-ethylpiperidin-4-yl)-methylamino]-2-oxoethoxy]acetic acid

2-[2-[(1-ethylpiperidin-4-yl)-methylamino]-2-oxoethoxy]acetic acid (PubChem CID 61326862) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[2-[(1-ethylpiperidin-4-yl)-methylamino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(1-ethylpiperidin-4-yl)-methylamino]-2-oxoethoxy]acetic acid
PubChem CID61326862
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-[2-[(1-ethylpiperidin-4-yl)-methylamino]-2-oxoethoxy]acetic acid
SMILESCCN1CCC(N(C)C(=O)COCC(=O)O)CC1
InChIInChI=1S/C12H22N2O4/c1-3-14-6-4-10(5-7-14)13(2)11(15)8-18-9-12(16)17/h10H,3-9H2,1-2H3,(H,16,17)
InChIKeyQUBMGNWIMTYKDS-UHFFFAOYSA-N
XLogP0.03
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-ethylpiperidin-4-yl)-methylamino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[(1-ethylpiperidin-4-yl)-methylamino]-2-oxoethoxy]acetic acid (CID 61326862) is 2-[2-[(1-ethylpiperidin-4-yl)-methylamino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(1-ethylpiperidin-4-yl)-methylamino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[(1-ethylpiperidin-4-yl)-methylamino]-2-oxoethoxy]acetic acid is CCN1CCC(N(C)C(=O)COCC(=O)O)CC1.
What is the InChIKey of 2-[2-[(1-ethylpiperidin-4-yl)-methylamino]-2-oxoethoxy]acetic acid?
The InChIKey is QUBMGNWIMTYKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-3-14-6-4-10(5-7-14)13(2)11(15)8-18-9-12(16)17/h10H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 2-[2-[(1-ethylpiperidin-4-yl)-methylamino]-2-oxoethoxy]acetic acid?
2-[2-[(1-ethylpiperidin-4-yl)-methylamino]-2-oxoethoxy]acetic acid has a molecular weight of 258.32 g/mol, XLogP of 0.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-ethylpiperidin-4-yl)-methylamino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 61326862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).