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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Related Compounds

1-(2-ethoxyethyl)-5-oxopiperazine-2-carboxylic acid
CID 107439843
1-octyl-5-oxopiperazine-2-carboxylic acid
CID 107439699
1-[(E)-but-2-enyl]-5-oxopiperazine-2-carboxylic acid
CID 107439980
1-(3-ethoxy-2-hydroxypropyl)-2,3-dihydroindole-2-carboxylic acid
CID 80566995
1-(3-butoxy-2-hydroxypropyl)piperazine-2-carboxylic acid
CID 107264189
1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-5-oxopiperazine-2-carboxylic acid
CID 107439547
1-(3-methylsulfonylpropyl)-5-oxopiperazine-2-carboxylic acid
CID 107439659
1-(2-methylpropoxycarbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107435066
1-(4-ethoxypiperidine-1-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107438116
1-[2-(cycloheptylamino)-2-oxoethyl]-5-oxopiperazine-2-carboxylic acid
CID 107439854
5-oxo-1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperazine-2-carboxylic acid
CID 107439870
5-oxo-1-pent-4-ynylpiperazine-2-carboxylic acid
CID 107439682

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).