2-(2-ethoxy-2-oxoethyl)-4-hydroxypiperidine-1-carboxylic acid

C10H17NO5 — CID 67378078

IUPAC2-(2-ethoxy-2-oxoethyl)-4-hydroxypiperidine-1-carboxylic acid
SMILESCCOC(=O)CC1CC(O)CCN1C(=O)O
InChIInChI=1S/C10H17NO5/c1-2-16-9(13)6-7-5-8(12)3-4-11(7)10(14)15/h7-8,12H,2-6H2,1H3,(H,14,15)
InChIKeyKALNOBDRXKXKGW-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.44
Rot. Bonds3

About 2-(2-ethoxy-2-oxoethyl)-4-hydroxypiperidine-1-carboxylic acid

2-(2-ethoxy-2-oxoethyl)-4-hydroxypiperidine-1-carboxylic acid (PubChem CID 67378078) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-(2-ethoxy-2-oxoethyl)-4-hydroxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-ethoxy-2-oxoethyl)-4-hydroxypiperidine-1-carboxylic acid
PubChem CID67378078
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name2-(2-ethoxy-2-oxoethyl)-4-hydroxypiperidine-1-carboxylic acid
SMILESCCOC(=O)CC1CC(O)CCN1C(=O)O
InChIInChI=1S/C10H17NO5/c1-2-16-9(13)6-7-5-8(12)3-4-11(7)10(14)15/h7-8,12H,2-6H2,1H3,(H,14,15)
InChIKeyKALNOBDRXKXKGW-UHFFFAOYSA-N
XLogP0.44
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-2-oxoethyl)-4-hydroxypiperidine-1-carboxylic acid?
The IUPAC name of 2-(2-ethoxy-2-oxoethyl)-4-hydroxypiperidine-1-carboxylic acid (CID 67378078) is 2-(2-ethoxy-2-oxoethyl)-4-hydroxypiperidine-1-carboxylic acid.
What is the SMILES notation for 2-(2-ethoxy-2-oxoethyl)-4-hydroxypiperidine-1-carboxylic acid?
The canonical SMILES for 2-(2-ethoxy-2-oxoethyl)-4-hydroxypiperidine-1-carboxylic acid is CCOC(=O)CC1CC(O)CCN1C(=O)O.
What is the InChIKey of 2-(2-ethoxy-2-oxoethyl)-4-hydroxypiperidine-1-carboxylic acid?
The InChIKey is KALNOBDRXKXKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c1-2-16-9(13)6-7-5-8(12)3-4-11(7)10(14)15/h7-8,12H,2-6H2,1H3,(H,14,15).
What are the key properties of 2-(2-ethoxy-2-oxoethyl)-4-hydroxypiperidine-1-carboxylic acid?
2-(2-ethoxy-2-oxoethyl)-4-hydroxypiperidine-1-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-2-oxoethyl)-4-hydroxypiperidine-1-carboxylic acid is sourced from PubChem (CID 67378078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).