1-(3-ethoxy-2-hydroxypropyl)-5-oxopiperazine-2-carboxylic acid

C10H18N2O5 — CID 107439729

IUPAC1-(3-ethoxy-2-hydroxypropyl)-5-oxopiperazine-2-carboxylic acid
SMILESCCOCC(O)CN1CC(=O)NCC1C(=O)O
InChIInChI=1S/C10H18N2O5/c1-2-17-6-7(13)4-12-5-9(14)11-3-8(12)10(15)16/h7-8,13H,2-6H2,1H3,(H,11,14)(H,15,16)
InChIKeyIULPZTZPIPPOCK-UHFFFAOYSA-N
MW246.26 g/mol
LogP-1.73
Rot. Bonds6

About 1-(3-ethoxy-2-hydroxypropyl)-5-oxopiperazine-2-carboxylic acid

1-(3-ethoxy-2-hydroxypropyl)-5-oxopiperazine-2-carboxylic acid (PubChem CID 107439729) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is 1-(3-ethoxy-2-hydroxypropyl)-5-oxopiperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-ethoxy-2-hydroxypropyl)-5-oxopiperazine-2-carboxylic acid
PubChem CID107439729
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name1-(3-ethoxy-2-hydroxypropyl)-5-oxopiperazine-2-carboxylic acid
SMILESCCOCC(O)CN1CC(=O)NCC1C(=O)O
InChIInChI=1S/C10H18N2O5/c1-2-17-6-7(13)4-12-5-9(14)11-3-8(12)10(15)16/h7-8,13H,2-6H2,1H3,(H,11,14)(H,15,16)
InChIKeyIULPZTZPIPPOCK-UHFFFAOYSA-N
XLogP-1.73
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 5-1.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-2-hydroxypropyl)-5-oxopiperazine-2-carboxylic acid?
The IUPAC name of 1-(3-ethoxy-2-hydroxypropyl)-5-oxopiperazine-2-carboxylic acid (CID 107439729) is 1-(3-ethoxy-2-hydroxypropyl)-5-oxopiperazine-2-carboxylic acid.
What is the SMILES notation for 1-(3-ethoxy-2-hydroxypropyl)-5-oxopiperazine-2-carboxylic acid?
The canonical SMILES for 1-(3-ethoxy-2-hydroxypropyl)-5-oxopiperazine-2-carboxylic acid is CCOCC(O)CN1CC(=O)NCC1C(=O)O.
What is the InChIKey of 1-(3-ethoxy-2-hydroxypropyl)-5-oxopiperazine-2-carboxylic acid?
The InChIKey is IULPZTZPIPPOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5/c1-2-17-6-7(13)4-12-5-9(14)11-3-8(12)10(15)16/h7-8,13H,2-6H2,1H3,(H,11,14)(H,15,16).
What are the key properties of 1-(3-ethoxy-2-hydroxypropyl)-5-oxopiperazine-2-carboxylic acid?
1-(3-ethoxy-2-hydroxypropyl)-5-oxopiperazine-2-carboxylic acid has a molecular weight of 246.26 g/mol, XLogP of -1.73, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-2-hydroxypropyl)-5-oxopiperazine-2-carboxylic acid is sourced from PubChem (CID 107439729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).