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

C10H20N2O3 — CID 62309673

IUPAC2-[4-(2-methoxyethyl)piperazin-1-yl]propanoic acid
SMILESCOCCN1CCN(C(C)C(=O)O)CC1
InChIInChI=1S/C10H20N2O3/c1-9(10(13)14)12-5-3-11(4-6-12)7-8-15-2/h9H,3-8H2,1-2H3,(H,13,14)
InChIKeyHSSSNLWWTQHPMG-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.28
Rot. Bonds5

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

2-[4-(2-methoxyethyl)piperazin-1-yl]propanoic acid (PubChem CID 62309673) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[4-(2-methoxyethyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(2-methoxyethyl)piperazin-1-yl]propanoic acid
PubChem CID62309673
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-[4-(2-methoxyethyl)piperazin-1-yl]propanoic acid
SMILESCOCCN1CCN(C(C)C(=O)O)CC1
InChIInChI=1S/C10H20N2O3/c1-9(10(13)14)12-5-3-11(4-6-12)7-8-15-2/h9H,3-8H2,1-2H3,(H,13,14)
InChIKeyHSSSNLWWTQHPMG-UHFFFAOYSA-N
XLogP-0.28
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-propoxyethyl)piperazin-1-yl]propanoic acid
CID 106454666
2-[4-(2-butoxyethyl)piperazin-1-yl]propanoic acid
CID 62311492
2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]propanoic acid
CID 62312460
2-[4-(2-fluoroethyl)piperazin-1-yl]propanoic acid
CID 80695764
(2S)-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]propanoic acid
CID 94397150
2-(4-nonylpiperazin-1-yl)propanoic acid
CID 62310084
2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]propanoic acid
CID 114525897
2-(4-propan-2-ylpiperazin-1-yl)propanoic acid
CID 43585425
2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]propanoic acid
CID 79282689
2-[4-(2-methoxyethyl)piperazin-1-yl]-N-(2-phenylpropyl)propanamide
CID 56809559
2-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]propanoic acid
CID 119135356
2-[4-(4-methoxybutyl)piperazin-1-yl]propanethioamide
CID 113436878

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyethyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 2-[4-(2-methoxyethyl)piperazin-1-yl]propanoic acid (CID 62309673) is 2-[4-(2-methoxyethyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-(2-methoxyethyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-(2-methoxyethyl)piperazin-1-yl]propanoic acid is COCCN1CCN(C(C)C(=O)O)CC1.
What is the InChIKey of 2-[4-(2-methoxyethyl)piperazin-1-yl]propanoic acid?
The InChIKey is HSSSNLWWTQHPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-9(10(13)14)12-5-3-11(4-6-12)7-8-15-2/h9H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 2-[4-(2-methoxyethyl)piperazin-1-yl]propanoic acid?
2-[4-(2-methoxyethyl)piperazin-1-yl]propanoic acid has a molecular weight of 216.28 g/mol, XLogP of -0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyethyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 62309673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).