2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propanoic acid;hydrochloride

C12H23ClN2O4 — CID 67401063

IUPAC2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propanoic acid;hydrochloride
SMILESCC(C(=O)O)N1CCN(C(=O)OC(C)(C)C)CC1.Cl
InChIInChI=1S/C12H22N2O4.ClH/c1-9(10(15)16)13-5-7-14(8-6-13)11(17)18-12(2,3)4;/h9H,5-8H2,1-4H3,(H,15,16);1H
InChIKeyBHOBWHIZRMRODE-UHFFFAOYSA-N
MW294.78 g/mol
LogP1.43
Rot. Bonds2

About 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propanoic acid;hydrochloride

2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propanoic acid;hydrochloride (PubChem CID 67401063) has the molecular formula C12H23ClN2O4 and a molecular weight of 294.78 g/mol. Its IUPAC name is 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propanoic acid;hydrochloride
PubChem CID67401063
Molecular FormulaC12H23ClN2O4
Molecular Weight294.78 g/mol
Exact Mass294.13
IUPAC Name2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propanoic acid;hydrochloride
SMILESCC(C(=O)O)N1CCN(C(=O)OC(C)(C)C)CC1.Cl
InChIInChI=1S/C12H22N2O4.ClH/c1-9(10(15)16)13-5-7-14(8-6-13)11(17)18-12(2,3)4;/h9H,5-8H2,1-4H3,(H,15,16);1H
InChIKeyBHOBWHIZRMRODE-UHFFFAOYSA-N
XLogP1.43
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propanoic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propanoic acid;hydrochloride?
The IUPAC name of 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propanoic acid;hydrochloride (CID 67401063) is 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propanoic acid;hydrochloride.
What is the SMILES notation for 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propanoic acid;hydrochloride?
The canonical SMILES for 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propanoic acid;hydrochloride is CC(C(=O)O)N1CCN(C(=O)OC(C)(C)C)CC1.Cl.
What is the InChIKey of 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propanoic acid;hydrochloride?
The InChIKey is BHOBWHIZRMRODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4.ClH/c1-9(10(15)16)13-5-7-14(8-6-13)11(17)18-12(2,3)4;/h9H,5-8H2,1-4H3,(H,15,16);1H.
What are the key properties of 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propanoic acid;hydrochloride?
2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propanoic acid;hydrochloride has a molecular weight of 294.78 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propanoic acid;hydrochloride is sourced from PubChem (CID 67401063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).