3-methyl-2-piperazin-1-ylbutanoic acid

C9H18N2O2 — CID 43209024

IUPAC3-methyl-2-piperazin-1-ylbutanoic acid
SMILESCC(C)C(C(=O)O)N1CCNCC1
InChIInChI=1S/C9H18N2O2/c1-7(2)8(9(12)13)11-5-3-10-4-6-11/h7-8,10H,3-6H2,1-2H3,(H,12,13)
InChIKeyLPADQACJEPZUHM-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.00
Rot. Bonds3

About 3-methyl-2-piperazin-1-ylbutanoic acid

3-methyl-2-piperazin-1-ylbutanoic acid (PubChem CID 43209024) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-methyl-2-piperazin-1-ylbutanoic acid.

Molecular Properties

Compound Name3-methyl-2-piperazin-1-ylbutanoic acid
PubChem CID43209024
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name3-methyl-2-piperazin-1-ylbutanoic acid
SMILESCC(C)C(C(=O)O)N1CCNCC1
InChIInChI=1S/C9H18N2O2/c1-7(2)8(9(12)13)11-5-3-10-4-6-11/h7-8,10H,3-6H2,1-2H3,(H,12,13)
InChIKeyLPADQACJEPZUHM-UHFFFAOYSA-N
XLogP0.00
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 96799
CID 96799
CID 107475
CID 107475
CID 129439
CID 129439
CID 137276
CID 137276
CID 409682
CID 409682
CID 164632
CID 164632
CID 193555
CID 193555
CID 28215910
CID 28215910
CID 49864477
CID 49864477
CID 86550
CID 86550
CID 86692749
CID 86692749
CID 16769213
CID 16769213

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-piperazin-1-ylbutanoic acid?
The IUPAC name of 3-methyl-2-piperazin-1-ylbutanoic acid (CID 43209024) is 3-methyl-2-piperazin-1-ylbutanoic acid.
What is the SMILES notation for 3-methyl-2-piperazin-1-ylbutanoic acid?
The canonical SMILES for 3-methyl-2-piperazin-1-ylbutanoic acid is CC(C)C(C(=O)O)N1CCNCC1.
What is the InChIKey of 3-methyl-2-piperazin-1-ylbutanoic acid?
The InChIKey is LPADQACJEPZUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-7(2)8(9(12)13)11-5-3-10-4-6-11/h7-8,10H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 3-methyl-2-piperazin-1-ylbutanoic acid?
3-methyl-2-piperazin-1-ylbutanoic acid has a molecular weight of 186.25 g/mol, XLogP of 0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-piperazin-1-ylbutanoic acid is sourced from PubChem (CID 43209024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).