3-[4-(2-hydroxyethyl)piperazin-1-yl]propanoic acid

C9H18N2O3 — CID 2759314

IUPAC3-[4-(2-hydroxyethyl)piperazin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCN(CCO)CC1
InChIInChI=1S/C9H18N2O3/c12-8-7-11-5-3-10(4-6-11)2-1-9(13)14/h12H,1-8H2,(H,13,14)
InChIKeyNVFWNRGNHMNIKU-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.93
Rot. Bonds5

About 3-[4-(2-hydroxyethyl)piperazin-1-yl]propanoic acid

3-[4-(2-hydroxyethyl)piperazin-1-yl]propanoic acid (PubChem CID 2759314) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 3-[4-(2-hydroxyethyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(2-hydroxyethyl)piperazin-1-yl]propanoic acid
PubChem CID2759314
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name3-[4-(2-hydroxyethyl)piperazin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCN(CCO)CC1
InChIInChI=1S/C9H18N2O3/c12-8-7-11-5-3-10(4-6-11)2-1-9(13)14/h12H,1-8H2,(H,13,14)
InChIKeyNVFWNRGNHMNIKU-UHFFFAOYSA-N
XLogP-0.93
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydroxyethyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 3-[4-(2-hydroxyethyl)piperazin-1-yl]propanoic acid (CID 2759314) is 3-[4-(2-hydroxyethyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(2-hydroxyethyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(2-hydroxyethyl)piperazin-1-yl]propanoic acid is O=C(O)CCN1CCN(CCO)CC1.
What is the InChIKey of 3-[4-(2-hydroxyethyl)piperazin-1-yl]propanoic acid?
The InChIKey is NVFWNRGNHMNIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c12-8-7-11-5-3-10(4-6-11)2-1-9(13)14/h12H,1-8H2,(H,13,14).
What are the key properties of 3-[4-(2-hydroxyethyl)piperazin-1-yl]propanoic acid?
3-[4-(2-hydroxyethyl)piperazin-1-yl]propanoic acid has a molecular weight of 202.25 g/mol, XLogP of -0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-hydroxyethyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 2759314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).