2-[(4-ethoxypiperidine-1-carbonyl)-ethylamino]acetic acid

C12H22N2O4 — CID 61216523

IUPAC2-[(4-ethoxypiperidine-1-carbonyl)-ethylamino]acetic acid
SMILESCCOC1CCN(C(=O)N(CC)CC(=O)O)CC1
InChIInChI=1S/C12H22N2O4/c1-3-13(9-11(15)16)12(17)14-7-5-10(6-8-14)18-4-2/h10H,3-9H2,1-2H3,(H,15,16)
InChIKeyAHZBHGOYAOHUSJ-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.01
Rot. Bonds5

About 2-[(4-ethoxypiperidine-1-carbonyl)-ethylamino]acetic acid

2-[(4-ethoxypiperidine-1-carbonyl)-ethylamino]acetic acid (PubChem CID 61216523) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[(4-ethoxypiperidine-1-carbonyl)-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-ethoxypiperidine-1-carbonyl)-ethylamino]acetic acid
PubChem CID61216523
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-[(4-ethoxypiperidine-1-carbonyl)-ethylamino]acetic acid
SMILESCCOC1CCN(C(=O)N(CC)CC(=O)O)CC1
InChIInChI=1S/C12H22N2O4/c1-3-13(9-11(15)16)12(17)14-7-5-10(6-8-14)18-4-2/h10H,3-9H2,1-2H3,(H,15,16)
InChIKeyAHZBHGOYAOHUSJ-UHFFFAOYSA-N
XLogP1.01
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl-(4-hydroxypiperidine-1-carbonyl)amino]acetic acid
CID 61190974
2-[ethyl-[4-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid
CID 61195912
2-[[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-ethylamino]acetic acid
CID 54986151
2-[ethyl(pyrrolidine-1-carbonyl)amino]acetic acid
CID 61187489
2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 82016011
2-[(4-ethoxypiperidine-1-carbonyl)-methylamino]propanoic acid
CID 62639034
1-(4-ethoxypiperidin-1-yl)propan-1-one
CID 53016317
3-[(3-ethoxypiperidine-1-carbonyl)-ethylamino]propanoic acid
CID 54990119
2-[(3-ethoxycarbonylpiperidine-1-carbonyl)-ethylamino]acetic acid
CID 61188372
2-[ethyl-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]acetic acid
CID 102783342
3-[(4-ethoxypiperidine-1-carbonyl)amino]butanoic acid
CID 61216878
2-[1-[ethyl(2-methylprop-2-enyl)carbamoyl]piperidin-4-yl]acetic acid
CID 79608327

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxypiperidine-1-carbonyl)-ethylamino]acetic acid?
The IUPAC name of 2-[(4-ethoxypiperidine-1-carbonyl)-ethylamino]acetic acid (CID 61216523) is 2-[(4-ethoxypiperidine-1-carbonyl)-ethylamino]acetic acid.
What is the SMILES notation for 2-[(4-ethoxypiperidine-1-carbonyl)-ethylamino]acetic acid?
The canonical SMILES for 2-[(4-ethoxypiperidine-1-carbonyl)-ethylamino]acetic acid is CCOC1CCN(C(=O)N(CC)CC(=O)O)CC1.
What is the InChIKey of 2-[(4-ethoxypiperidine-1-carbonyl)-ethylamino]acetic acid?
The InChIKey is AHZBHGOYAOHUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-3-13(9-11(15)16)12(17)14-7-5-10(6-8-14)18-4-2/h10H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 2-[(4-ethoxypiperidine-1-carbonyl)-ethylamino]acetic acid?
2-[(4-ethoxypiperidine-1-carbonyl)-ethylamino]acetic acid has a molecular weight of 258.32 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxypiperidine-1-carbonyl)-ethylamino]acetic acid is sourced from PubChem (CID 61216523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).