2-(4-ethyl-3-oxo-1-propylpiperazin-2-yl)acetic acid

C11H20N2O3 — CID 110284161

IUPAC2-(4-ethyl-3-oxo-1-propylpiperazin-2-yl)acetic acid
SMILESCCCN1CCN(CC)C(=O)C1CC(=O)O
InChIInChI=1S/C11H20N2O3/c1-3-5-13-7-6-12(4-2)11(16)9(13)8-10(14)15/h9H,3-8H2,1-2H3,(H,14,15)
InChIKeyPGZBHJIBJWCOJD-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.40
Rot. Bonds5

About 2-(4-ethyl-3-oxo-1-propylpiperazin-2-yl)acetic acid

2-(4-ethyl-3-oxo-1-propylpiperazin-2-yl)acetic acid (PubChem CID 110284161) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-(4-ethyl-3-oxo-1-propylpiperazin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(4-ethyl-3-oxo-1-propylpiperazin-2-yl)acetic acid
PubChem CID110284161
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-(4-ethyl-3-oxo-1-propylpiperazin-2-yl)acetic acid
SMILESCCCN1CCN(CC)C(=O)C1CC(=O)O
InChIInChI=1S/C11H20N2O3/c1-3-5-13-7-6-12(4-2)11(16)9(13)8-10(14)15/h9H,3-8H2,1-2H3,(H,14,15)
InChIKeyPGZBHJIBJWCOJD-UHFFFAOYSA-N
XLogP0.40
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(2-fluorophenyl)methyl]-3-oxo-1-propylpiperazin-2-yl]acetic acid
CID 110284176
2-(3-oxo-1-propan-2-yl-4-propylpiperazin-2-yl)acetic acid
CID 110284114
2-(1-cyclohexyl-3-oxo-4-propylpiperazin-2-yl)acetic acid
CID 110284130
2-[1-[(5-methylfuran-2-yl)methyl]-3-oxo-4-propylpiperazin-2-yl]acetic acid
CID 110284244
2-[1-(cyclobutanecarbonyl)-4-ethyl-3-oxopiperazin-2-yl]acetic acid
CID 110284362
2-[1-(cyclopentanecarbonyl)-4-ethyl-3-oxopiperazin-2-yl]acetic acid
CID 110284379
2-[4-(2-ethoxyethyl)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetic acid
CID 110284123
2-(1,4-dimethyl-3-oxopiperazin-2-yl)acetic acid
CID 53408603
2-[1-(2-aminoacetyl)-4-(carboxymethyl)-3-oxopiperazin-2-yl]acetic acid
CID 19094652
2-[1-(cyclopropanecarbonyl)-4-(2-ethoxyethyl)-3-oxopiperazin-2-yl]acetic acid
CID 110284355
2-[4-(2-methoxyethyl)-1-methylsulfonyl-3-oxopiperazin-2-yl]acetic acid
CID 110284451
2-[1-[(5-methylfuran-2-yl)methyl]-3-oxo-4-prop-2-enylpiperazin-2-yl]acetic acid
CID 110284248

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-3-oxo-1-propylpiperazin-2-yl)acetic acid?
The IUPAC name of 2-(4-ethyl-3-oxo-1-propylpiperazin-2-yl)acetic acid (CID 110284161) is 2-(4-ethyl-3-oxo-1-propylpiperazin-2-yl)acetic acid.
What is the SMILES notation for 2-(4-ethyl-3-oxo-1-propylpiperazin-2-yl)acetic acid?
The canonical SMILES for 2-(4-ethyl-3-oxo-1-propylpiperazin-2-yl)acetic acid is CCCN1CCN(CC)C(=O)C1CC(=O)O.
What is the InChIKey of 2-(4-ethyl-3-oxo-1-propylpiperazin-2-yl)acetic acid?
The InChIKey is PGZBHJIBJWCOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-5-13-7-6-12(4-2)11(16)9(13)8-10(14)15/h9H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 2-(4-ethyl-3-oxo-1-propylpiperazin-2-yl)acetic acid?
2-(4-ethyl-3-oxo-1-propylpiperazin-2-yl)acetic acid has a molecular weight of 228.29 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-3-oxo-1-propylpiperazin-2-yl)acetic acid is sourced from PubChem (CID 110284161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).