2-[4-(2-ethoxyethyl)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetic acid

C13H24N2O4 — CID 110284123

IUPAC2-[4-(2-ethoxyethyl)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetic acid
SMILESCCOCCN1CCN(C(C)C)C(CC(=O)O)C1=O
InChIInChI=1S/C13H24N2O4/c1-4-19-8-7-14-5-6-15(10(2)3)11(13(14)18)9-12(16)17/h10-11H,4-9H2,1-3H3,(H,16,17)
InChIKeyZCLJPGWUPYFXOF-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.42
Rot. Bonds7

About 2-[4-(2-ethoxyethyl)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetic acid

2-[4-(2-ethoxyethyl)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetic acid (PubChem CID 110284123) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-[4-(2-ethoxyethyl)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-ethoxyethyl)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetic acid
PubChem CID110284123
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name2-[4-(2-ethoxyethyl)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetic acid
SMILESCCOCCN1CCN(C(C)C)C(CC(=O)O)C1=O
InChIInChI=1S/C13H24N2O4/c1-4-19-8-7-14-5-6-15(10(2)3)11(13(14)18)9-12(16)17/h10-11H,4-9H2,1-3H3,(H,16,17)
InChIKeyZCLJPGWUPYFXOF-UHFFFAOYSA-N
XLogP0.42
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-oxo-1-propan-2-yl-4-propylpiperazin-2-yl)acetic acid
CID 110284114
2-[1-(cyclopropanecarbonyl)-4-(2-ethoxyethyl)-3-oxopiperazin-2-yl]acetic acid
CID 110284355
2-[4-(cyclobutylmethyl)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetic acid
CID 110284122
2-[4-(2-methoxyethyl)-1-methylsulfonyl-3-oxopiperazin-2-yl]acetic acid
CID 110284451
2-(4-ethyl-3-oxo-1-propylpiperazin-2-yl)acetic acid
CID 110284161
2-[4-(2-ethoxyethyl)-3-oxopiperazin-2-yl]acetamide
CID 110283554
2-(1-cyclohexyl-3-oxo-4-propylpiperazin-2-yl)acetic acid
CID 110284130
2-(1,4-dimethyl-3-oxopiperazin-2-yl)acetic acid
CID 53408603
2-[4-(2-ethoxyethyl)-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide;hydrochloride
CID 110283561
1-(2-ethoxyethyl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one;hydrochloride
CID 110283521
2-[1-[(2,4-dichlorophenyl)methyl]-3-(2-ethoxyethyl)-2-oxo-1,3-diazinan-5-yl]acetic acid
CID 18768623
2-[1-(2-methoxyethyl)-2-oxoazepan-3-yl]acetic acid
CID 91920316

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethoxyethyl)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetic acid?
The IUPAC name of 2-[4-(2-ethoxyethyl)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetic acid (CID 110284123) is 2-[4-(2-ethoxyethyl)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-ethoxyethyl)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(2-ethoxyethyl)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetic acid is CCOCCN1CCN(C(C)C)C(CC(=O)O)C1=O.
What is the InChIKey of 2-[4-(2-ethoxyethyl)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetic acid?
The InChIKey is ZCLJPGWUPYFXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-4-19-8-7-14-5-6-15(10(2)3)11(13(14)18)9-12(16)17/h10-11H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 2-[4-(2-ethoxyethyl)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetic acid?
2-[4-(2-ethoxyethyl)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetic acid has a molecular weight of 272.34 g/mol, XLogP of 0.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethoxyethyl)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetic acid is sourced from PubChem (CID 110284123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).