3-(2-propan-2-ylpiperazin-1-yl)butanoic acid

C11H22N2O2 — CID 112546820

IUPAC3-(2-propan-2-ylpiperazin-1-yl)butanoic acid
SMILESCC(C)C1CNCCN1C(C)CC(=O)O
InChIInChI=1S/C11H22N2O2/c1-8(2)10-7-12-4-5-13(10)9(3)6-11(14)15/h8-10,12H,4-7H2,1-3H3,(H,14,15)
InChIKeyJHPPRBQCYPCBQC-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.78
Rot. Bonds4

About 3-(2-propan-2-ylpiperazin-1-yl)butanoic acid

3-(2-propan-2-ylpiperazin-1-yl)butanoic acid (PubChem CID 112546820) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-(2-propan-2-ylpiperazin-1-yl)butanoic acid.

Molecular Properties

Compound Name3-(2-propan-2-ylpiperazin-1-yl)butanoic acid
PubChem CID112546820
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-(2-propan-2-ylpiperazin-1-yl)butanoic acid
SMILESCC(C)C1CNCCN1C(C)CC(=O)O
InChIInChI=1S/C11H22N2O2/c1-8(2)10-7-12-4-5-13(10)9(3)6-11(14)15/h8-10,12H,4-7H2,1-3H3,(H,14,15)
InChIKeyJHPPRBQCYPCBQC-UHFFFAOYSA-N
XLogP0.78
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2S)-2-methylpiperazin-1-yl]butanoic acid
CID 82755213
1-(2-propan-2-ylpiperazin-1-yl)ethanone
CID 82240899
1-pentan-3-yl-2-propan-2-ylpiperazine
CID 64938438
1-(3-ethylpentan-2-yl)-2-propan-2-ylpiperazine
CID 64930343
2-methyl-1-(2-propan-2-ylpiperazin-1-yl)propan-1-one
CID 82241180
methyl (2S)-2-propan-2-ylpiperazine-1-carboxylate;hydrochloride
CID 118918424
1-(2-propan-2-ylpiperazin-1-yl)butan-1-one
CID 82241181
cyclopropyl-(2-propan-2-ylpiperazin-1-yl)methanone
CID 82241133
2-methyl-3-[(2R)-2-methylpiperazin-1-yl]butanoic acid
CID 82761791
1-(1-cyclohexylpropyl)-2-propan-2-ylpiperazine
CID 64932315
1-[(2S)-2-propan-2-ylpiperazin-1-yl]prop-2-en-1-one
CID 178149629
2-(2-methylpiperazin-1-yl)butanoic acid
CID 64663395

Frequently Asked Questions

What is the IUPAC name of 3-(2-propan-2-ylpiperazin-1-yl)butanoic acid?
The IUPAC name of 3-(2-propan-2-ylpiperazin-1-yl)butanoic acid (CID 112546820) is 3-(2-propan-2-ylpiperazin-1-yl)butanoic acid.
What is the SMILES notation for 3-(2-propan-2-ylpiperazin-1-yl)butanoic acid?
The canonical SMILES for 3-(2-propan-2-ylpiperazin-1-yl)butanoic acid is CC(C)C1CNCCN1C(C)CC(=O)O.
What is the InChIKey of 3-(2-propan-2-ylpiperazin-1-yl)butanoic acid?
The InChIKey is JHPPRBQCYPCBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8(2)10-7-12-4-5-13(10)9(3)6-11(14)15/h8-10,12H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 3-(2-propan-2-ylpiperazin-1-yl)butanoic acid?
3-(2-propan-2-ylpiperazin-1-yl)butanoic acid has a molecular weight of 214.31 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propan-2-ylpiperazin-1-yl)butanoic acid is sourced from PubChem (CID 112546820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).