2-ethyl-2-(3-oxopropoxy)piperazine-1-carboxylic acid

C10H18N2O4 — CID 175892902

IUPAC2-ethyl-2-(3-oxopropoxy)piperazine-1-carboxylic acid
SMILESCCC1(OCCC=O)CNCCN1C(=O)O
InChIInChI=1S/C10H18N2O4/c1-2-10(16-7-3-6-13)8-11-4-5-12(10)9(14)15/h6,11H,2-5,7-8H2,1H3,(H,14,15)
InChIKeyQXSUUHJXTTUGPD-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.28
Rot. Bonds5

About 2-ethyl-2-(3-oxopropoxy)piperazine-1-carboxylic acid

2-ethyl-2-(3-oxopropoxy)piperazine-1-carboxylic acid (PubChem CID 175892902) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-ethyl-2-(3-oxopropoxy)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-2-(3-oxopropoxy)piperazine-1-carboxylic acid
PubChem CID175892902
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name2-ethyl-2-(3-oxopropoxy)piperazine-1-carboxylic acid
SMILESCCC1(OCCC=O)CNCCN1C(=O)O
InChIInChI=1S/C10H18N2O4/c1-2-10(16-7-3-6-13)8-11-4-5-12(10)9(14)15/h6,11H,2-5,7-8H2,1H3,(H,14,15)
InChIKeyQXSUUHJXTTUGPD-UHFFFAOYSA-N
XLogP0.28
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-ethyl-2-(fluoromethoxy)piperazine-1-carboxylic acid
CID 174409479
[2-ethyl-1-(2,2,2-trifluoroacetyl)piperazin-2-yl] 2,2,2-trifluoroacetate
CID 154651460
2-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylic acid
CID 77277312
(2S)-2-tert-butyl-2-methylpiperazine-1-carboxylic acid
CID 23568516
2-tert-butyl-2-iodopiperazine-1-carboxylic acid
CID 67738141
1-(2,2-dimethylpiperazin-1-yl)-3-phenoxypropan-1-one
CID 65461132
2-cyclohexyl-1-(2,2-dimethylpiperazin-1-yl)ethanone
CID 65463150
2-(dimethylamino)-1-(2,2-dimethylpiperazin-1-yl)ethanone
CID 79001733
3-methylpentan-3-yl 2,2-dimethylpiperazine-1-carboxylate
CID 141044506
2,2-diethyl-1-[3-(2-methoxyethoxy)propyl]piperazine
CID 103414065
2,2-diethyl-1-methylpiperazine
CID 18770859
2,2-dimethyl-N-propylpiperazine-1-carboxamide
CID 65460942

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(3-oxopropoxy)piperazine-1-carboxylic acid?
The IUPAC name of 2-ethyl-2-(3-oxopropoxy)piperazine-1-carboxylic acid (CID 175892902) is 2-ethyl-2-(3-oxopropoxy)piperazine-1-carboxylic acid.
What is the SMILES notation for 2-ethyl-2-(3-oxopropoxy)piperazine-1-carboxylic acid?
The canonical SMILES for 2-ethyl-2-(3-oxopropoxy)piperazine-1-carboxylic acid is CCC1(OCCC=O)CNCCN1C(=O)O.
What is the InChIKey of 2-ethyl-2-(3-oxopropoxy)piperazine-1-carboxylic acid?
The InChIKey is QXSUUHJXTTUGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-2-10(16-7-3-6-13)8-11-4-5-12(10)9(14)15/h6,11H,2-5,7-8H2,1H3,(H,14,15).
What are the key properties of 2-ethyl-2-(3-oxopropoxy)piperazine-1-carboxylic acid?
2-ethyl-2-(3-oxopropoxy)piperazine-1-carboxylic acid has a molecular weight of 230.26 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(3-oxopropoxy)piperazine-1-carboxylic acid is sourced from PubChem (CID 175892902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).