3-(4-butan-2-ylpiperazin-1-yl)propanoic acid

C11H22N2O2 — CID 4739561

IUPAC3-(4-butan-2-ylpiperazin-1-yl)propanoic acid
SMILESCCC(C)N1CCN(CCC(=O)O)CC1
InChIInChI=1S/C11H22N2O2/c1-3-10(2)13-8-6-12(7-9-13)5-4-11(14)15/h10H,3-9H2,1-2H3,(H,14,15)
InChIKeyFRNHWZCKRXGVIY-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.88
Rot. Bonds5

About 3-(4-butan-2-ylpiperazin-1-yl)propanoic acid

3-(4-butan-2-ylpiperazin-1-yl)propanoic acid (PubChem CID 4739561) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-(4-butan-2-ylpiperazin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-butan-2-ylpiperazin-1-yl)propanoic acid
PubChem CID4739561
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-(4-butan-2-ylpiperazin-1-yl)propanoic acid
SMILESCCC(C)N1CCN(CCC(=O)O)CC1
InChIInChI=1S/C11H22N2O2/c1-3-10(2)13-8-6-12(7-9-13)5-4-11(14)15/h10H,3-9H2,1-2H3,(H,14,15)
InChIKeyFRNHWZCKRXGVIY-UHFFFAOYSA-N
XLogP0.88
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-Methylpiperazin-1-yl)propanoic acid
CID 1395380
1,4-Bis(2-carboxyethyl)piperazine
CID 79733
3-(4-acetylpiperazin-1-yl)propanoic Acid
CID 2050699
1,4-Dimethyl-2-piperazineacetic acid
CID 3146197
3-(4-Methylpiperazin-1-yl)propanoic acid dihydrochloride
CID 12203354
3-(4-Methylpiperazin-1-yl)propanoic acid hydrochloride
CID 12203355
3-(4-Cyclohexylpiperazin-1-yl)propanoic acid
CID 3156789
3-(2-Methylpiperidin-1-yl)propanoic acid
CID 3157941
3-(4-Ethylpiperazin-1-yl)propanoic acid
CID 3155212
3-(4-Ethylpiperazin-1-yl)propanoic acid dihydrochloride
CID 45074891
2,2-Dimethyl-3-(4-methylpiperazin-1-yl)propanoic acid dihydrochloride
CID 124220506
Methyl 3-(4-(2-hydroxyethyl)-2-methyl-1-piperazinyl)propanoate
CID 377684

Frequently Asked Questions

What is the IUPAC name of 3-(4-butan-2-ylpiperazin-1-yl)propanoic acid?
The IUPAC name of 3-(4-butan-2-ylpiperazin-1-yl)propanoic acid (CID 4739561) is 3-(4-butan-2-ylpiperazin-1-yl)propanoic acid.
What is the SMILES notation for 3-(4-butan-2-ylpiperazin-1-yl)propanoic acid?
The canonical SMILES for 3-(4-butan-2-ylpiperazin-1-yl)propanoic acid is CCC(C)N1CCN(CCC(=O)O)CC1.
What is the InChIKey of 3-(4-butan-2-ylpiperazin-1-yl)propanoic acid?
The InChIKey is FRNHWZCKRXGVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-10(2)13-8-6-12(7-9-13)5-4-11(14)15/h10H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 3-(4-butan-2-ylpiperazin-1-yl)propanoic acid?
3-(4-butan-2-ylpiperazin-1-yl)propanoic acid has a molecular weight of 214.31 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butan-2-ylpiperazin-1-yl)propanoic acid is sourced from PubChem (CID 4739561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).