ethyl 2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]acetate

C12H22N2O4 — CID 43445646

IUPACethyl 2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCCCC1CCO
InChIInChI=1S/C12H22N2O4/c1-2-18-11(16)9-13-12(17)14-7-4-3-5-10(14)6-8-15/h10,15H,2-9H2,1H3,(H,13,17)
InChIKeyNDDLJMJZEMVFDI-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.50
Rot. Bonds5

About ethyl 2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]acetate

ethyl 2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]acetate (PubChem CID 43445646) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is ethyl 2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]acetate
PubChem CID43445646
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Nameethyl 2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCCCC1CCO
InChIInChI=1S/C12H22N2O4/c1-2-18-11(16)9-13-12(17)14-7-4-3-5-10(14)6-8-15/h10,15H,2-9H2,1H3,(H,13,17)
InChIKeyNDDLJMJZEMVFDI-UHFFFAOYSA-N
XLogP0.50
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]acetate (CID 43445646) is ethyl 2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]acetate is CCOC(=O)CNC(=O)N1CCCCC1CCO.
What is the InChIKey of ethyl 2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]acetate?
The InChIKey is NDDLJMJZEMVFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-2-18-11(16)9-13-12(17)14-7-4-3-5-10(14)6-8-15/h10,15H,2-9H2,1H3,(H,13,17).
What are the key properties of ethyl 2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]acetate?
ethyl 2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]acetate has a molecular weight of 258.32 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]acetate is sourced from PubChem (CID 43445646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).