2-hydroxy-4,4-dimethyl-2-piperazin-1-ylpentanoic acid

C11H22N2O3 — CID 69422963

IUPAC2-hydroxy-4,4-dimethyl-2-piperazin-1-ylpentanoic acid
SMILESCC(C)(C)CC(O)(C(=O)O)N1CCNCC1
InChIInChI=1S/C11H22N2O3/c1-10(2,3)8-11(16,9(14)15)13-6-4-12-5-7-13/h12,16H,4-8H2,1-3H3,(H,14,15)
InChIKeyRYWMXIFNKFNPGD-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.10
Rot. Bonds3

About 2-hydroxy-4,4-dimethyl-2-piperazin-1-ylpentanoic acid

2-hydroxy-4,4-dimethyl-2-piperazin-1-ylpentanoic acid (PubChem CID 69422963) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-hydroxy-4,4-dimethyl-2-piperazin-1-ylpentanoic acid.

Molecular Properties

Compound Name2-hydroxy-4,4-dimethyl-2-piperazin-1-ylpentanoic acid
PubChem CID69422963
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-hydroxy-4,4-dimethyl-2-piperazin-1-ylpentanoic acid
SMILESCC(C)(C)CC(O)(C(=O)O)N1CCNCC1
InChIInChI=1S/C11H22N2O3/c1-10(2,3)8-11(16,9(14)15)13-6-4-12-5-7-13/h12,16H,4-8H2,1-3H3,(H,14,15)
InChIKeyRYWMXIFNKFNPGD-UHFFFAOYSA-N
XLogP0.10
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4,4-dimethyl-2-piperazin-1-ylpentanoic acid?
The IUPAC name of 2-hydroxy-4,4-dimethyl-2-piperazin-1-ylpentanoic acid (CID 69422963) is 2-hydroxy-4,4-dimethyl-2-piperazin-1-ylpentanoic acid.
What is the SMILES notation for 2-hydroxy-4,4-dimethyl-2-piperazin-1-ylpentanoic acid?
The canonical SMILES for 2-hydroxy-4,4-dimethyl-2-piperazin-1-ylpentanoic acid is CC(C)(C)CC(O)(C(=O)O)N1CCNCC1.
What is the InChIKey of 2-hydroxy-4,4-dimethyl-2-piperazin-1-ylpentanoic acid?
The InChIKey is RYWMXIFNKFNPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-10(2,3)8-11(16,9(14)15)13-6-4-12-5-7-13/h12,16H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 2-hydroxy-4,4-dimethyl-2-piperazin-1-ylpentanoic acid?
2-hydroxy-4,4-dimethyl-2-piperazin-1-ylpentanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.10, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4,4-dimethyl-2-piperazin-1-ylpentanoic acid is sourced from PubChem (CID 69422963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).