3-(3,5-dimethylpiperazin-1-yl)-2-hydroxy-2-methylpropanoic acid

C10H20N2O3 — CID 104645103

IUPAC3-(3,5-dimethylpiperazin-1-yl)-2-hydroxy-2-methylpropanoic acid
SMILESCC1CN(CC(C)(O)C(=O)O)CC(C)N1
InChIInChI=1S/C10H20N2O3/c1-7-4-12(5-8(2)11-7)6-10(3,15)9(13)14/h7-8,11,15H,4-6H2,1-3H3,(H,13,14)
InChIKeyGLWVYTFZSMGGQR-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.50
Rot. Bonds3

About 3-(3,5-dimethylpiperazin-1-yl)-2-hydroxy-2-methylpropanoic acid

3-(3,5-dimethylpiperazin-1-yl)-2-hydroxy-2-methylpropanoic acid (PubChem CID 104645103) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-(3,5-dimethylpiperazin-1-yl)-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(3,5-dimethylpiperazin-1-yl)-2-hydroxy-2-methylpropanoic acid
PubChem CID104645103
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name3-(3,5-dimethylpiperazin-1-yl)-2-hydroxy-2-methylpropanoic acid
SMILESCC1CN(CC(C)(O)C(=O)O)CC(C)N1
InChIInChI=1S/C10H20N2O3/c1-7-4-12(5-8(2)11-7)6-10(3,15)9(13)14/h7-8,11,15H,4-6H2,1-3H3,(H,13,14)
InChIKeyGLWVYTFZSMGGQR-UHFFFAOYSA-N
XLogP-0.50
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpiperazin-1-yl)-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-(3,5-dimethylpiperazin-1-yl)-2-hydroxy-2-methylpropanoic acid (CID 104645103) is 3-(3,5-dimethylpiperazin-1-yl)-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-(3,5-dimethylpiperazin-1-yl)-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-(3,5-dimethylpiperazin-1-yl)-2-hydroxy-2-methylpropanoic acid is CC1CN(CC(C)(O)C(=O)O)CC(C)N1.
What is the InChIKey of 3-(3,5-dimethylpiperazin-1-yl)-2-hydroxy-2-methylpropanoic acid?
The InChIKey is GLWVYTFZSMGGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-7-4-12(5-8(2)11-7)6-10(3,15)9(13)14/h7-8,11,15H,4-6H2,1-3H3,(H,13,14).
What are the key properties of 3-(3,5-dimethylpiperazin-1-yl)-2-hydroxy-2-methylpropanoic acid?
3-(3,5-dimethylpiperazin-1-yl)-2-hydroxy-2-methylpropanoic acid has a molecular weight of 216.28 g/mol, XLogP of -0.50, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpiperazin-1-yl)-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 104645103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).