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

C10H20N2O3 — CID 68522004

IUPAC3-[4-(1-hydroxyethyl)piperazin-1-yl]butanoic acid
SMILESCC(O)N1CCN(C(C)CC(=O)O)CC1
InChIInChI=1S/C10H20N2O3/c1-8(7-10(14)15)11-3-5-12(6-4-11)9(2)13/h8-9,13H,3-7H2,1-2H3,(H,14,15)
InChIKeyBELCQXMAISTXOE-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.19
Rot. Bonds4

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

3-[4-(1-hydroxyethyl)piperazin-1-yl]butanoic acid (PubChem CID 68522004) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-[4-(1-hydroxyethyl)piperazin-1-yl]butanoic acid.

Molecular Properties

Compound Name3-[4-(1-hydroxyethyl)piperazin-1-yl]butanoic acid
PubChem CID68522004
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name3-[4-(1-hydroxyethyl)piperazin-1-yl]butanoic acid
SMILESCC(O)N1CCN(C(C)CC(=O)O)CC1
InChIInChI=1S/C10H20N2O3/c1-8(7-10(14)15)11-3-5-12(6-4-11)9(2)13/h8-9,13H,3-7H2,1-2H3,(H,14,15)
InChIKeyBELCQXMAISTXOE-UHFFFAOYSA-N
XLogP-0.19
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-hydroxyethyl)piperazin-1-yl]butanoic acid?
The IUPAC name of 3-[4-(1-hydroxyethyl)piperazin-1-yl]butanoic acid (CID 68522004) is 3-[4-(1-hydroxyethyl)piperazin-1-yl]butanoic acid.
What is the SMILES notation for 3-[4-(1-hydroxyethyl)piperazin-1-yl]butanoic acid?
The canonical SMILES for 3-[4-(1-hydroxyethyl)piperazin-1-yl]butanoic acid is CC(O)N1CCN(C(C)CC(=O)O)CC1.
What is the InChIKey of 3-[4-(1-hydroxyethyl)piperazin-1-yl]butanoic acid?
The InChIKey is BELCQXMAISTXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-8(7-10(14)15)11-3-5-12(6-4-11)9(2)13/h8-9,13H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 3-[4-(1-hydroxyethyl)piperazin-1-yl]butanoic acid?
3-[4-(1-hydroxyethyl)piperazin-1-yl]butanoic acid has a molecular weight of 216.28 g/mol, XLogP of -0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-hydroxyethyl)piperazin-1-yl]butanoic acid is sourced from PubChem (CID 68522004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).