(2S)-2-(4-cyclopentylpiperazin-1-yl)butanoic acid

C13H24N2O2 — CID 129367844

IUPAC(2S)-2-(4-cyclopentylpiperazin-1-yl)butanoic acid
SMILESCC[C@@H](C(=O)O)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C13H24N2O2/c1-2-12(13(16)17)15-9-7-14(8-10-15)11-5-3-4-6-11/h11-12H,2-10H2,1H3,(H,16,17)/t12-/m0/s1
InChIKeyPJTKYGBMHJDTPZ-LBPRGKRZSA-N
MW240.35 g/mol
LogP1.41
Rot. Bonds4

About (2S)-2-(4-cyclopentylpiperazin-1-yl)butanoic acid

(2S)-2-(4-cyclopentylpiperazin-1-yl)butanoic acid (PubChem CID 129367844) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (2S)-2-(4-cyclopentylpiperazin-1-yl)butanoic acid.

Molecular Properties

Compound Name(2S)-2-(4-cyclopentylpiperazin-1-yl)butanoic acid
PubChem CID129367844
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name(2S)-2-(4-cyclopentylpiperazin-1-yl)butanoic acid
SMILESCC[C@@H](C(=O)O)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C13H24N2O2/c1-2-12(13(16)17)15-9-7-14(8-10-15)11-5-3-4-6-11/h11-12H,2-10H2,1H3,(H,16,17)/t12-/m0/s1
InChIKeyPJTKYGBMHJDTPZ-LBPRGKRZSA-N
XLogP1.41
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-cyclopentylpiperazin-1-yl)butanoic acid?
The IUPAC name of (2S)-2-(4-cyclopentylpiperazin-1-yl)butanoic acid (CID 129367844) is (2S)-2-(4-cyclopentylpiperazin-1-yl)butanoic acid.
What is the SMILES notation for (2S)-2-(4-cyclopentylpiperazin-1-yl)butanoic acid?
The canonical SMILES for (2S)-2-(4-cyclopentylpiperazin-1-yl)butanoic acid is CC[C@@H](C(=O)O)N1CCN(C2CCCC2)CC1.
What is the InChIKey of (2S)-2-(4-cyclopentylpiperazin-1-yl)butanoic acid?
The InChIKey is PJTKYGBMHJDTPZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-2-12(13(16)17)15-9-7-14(8-10-15)11-5-3-4-6-11/h11-12H,2-10H2,1H3,(H,16,17)/t12-/m0/s1.
What are the key properties of (2S)-2-(4-cyclopentylpiperazin-1-yl)butanoic acid?
(2S)-2-(4-cyclopentylpiperazin-1-yl)butanoic acid has a molecular weight of 240.35 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-cyclopentylpiperazin-1-yl)butanoic acid is sourced from PubChem (CID 129367844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).