2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]propanoic acid

C12H23N3O4 — CID 79282689

IUPAC2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]propanoic acid
SMILESCOCCNCC(=O)N1CCN(C(C)C(=O)O)CC1
InChIInChI=1S/C12H23N3O4/c1-10(12(17)18)14-4-6-15(7-5-14)11(16)9-13-3-8-19-2/h10,13H,3-9H2,1-2H3,(H,17,18)
InChIKeySXLSCWJFOVSKKP-UHFFFAOYSA-N
MW273.33 g/mol
LogP-1.16
Rot. Bonds7

About 2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]propanoic acid

2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]propanoic acid (PubChem CID 79282689) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]propanoic acid
PubChem CID79282689
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Name2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]propanoic acid
SMILESCOCCNCC(=O)N1CCN(C(C)C(=O)O)CC1
InChIInChI=1S/C12H23N3O4/c1-10(12(17)18)14-4-6-15(7-5-14)11(16)9-13-3-8-19-2/h10,13H,3-9H2,1-2H3,(H,17,18)
InChIKeySXLSCWJFOVSKKP-UHFFFAOYSA-N
XLogP-1.16
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-acetyl-1,4-diazepan-1-yl)-2-(2-methoxyethylamino)ethanone
CID 79281707
2-(2-methoxyethylamino)-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119831605
ethyl 4-[2-(2-methoxyethylamino)acetyl]piperazine-1-carboxylate
CID 71628424
2-(2-methoxyethylamino)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 79281462
1-[2-(2-methoxyethylamino)acetyl]piperidine-4-carboxylic acid
CID 79280780
2-(2-methoxyethylamino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 54773459
2-(2-methoxyethylamino)-1-(4-methylpiperidin-1-yl)ethanone;hydrochloride
CID 119675101
2-[4-(2-methoxyethyl)piperazin-1-yl]propanoic acid
CID 62309673
2-(2-methoxyethylamino)-1-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone
CID 119880650
2-(4-methoxycarbonylpiperazin-1-yl)propanoic acid
CID 62309651
2-(2-methoxyethylamino)-1-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119896929
1-(4-tert-butylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone
CID 79280949

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]propanoic acid?
The IUPAC name of 2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]propanoic acid (CID 79282689) is 2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]propanoic acid is COCCNCC(=O)N1CCN(C(C)C(=O)O)CC1.
What is the InChIKey of 2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]propanoic acid?
The InChIKey is SXLSCWJFOVSKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4/c1-10(12(17)18)14-4-6-15(7-5-14)11(16)9-13-3-8-19-2/h10,13H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]propanoic acid?
2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]propanoic acid has a molecular weight of 273.33 g/mol, XLogP of -1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]propanoic acid is sourced from PubChem (CID 79282689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).