2-(4-propan-2-ylsulfonylpiperazin-1-yl)propanoic acid

C10H20N2O4S — CID 62311265

IUPAC2-(4-propan-2-ylsulfonylpiperazin-1-yl)propanoic acid
SMILESCC(C(=O)O)N1CCN(S(=O)(=O)C(C)C)CC1
InChIInChI=1S/C10H20N2O4S/c1-8(2)17(15,16)12-6-4-11(5-7-12)9(3)10(13)14/h8-9H,4-7H2,1-3H3,(H,13,14)
InChIKeyZFOANRBHJOUXPC-UHFFFAOYSA-N
MW264.35 g/mol
LogP-0.18
Rot. Bonds4

About 2-(4-propan-2-ylsulfonylpiperazin-1-yl)propanoic acid

2-(4-propan-2-ylsulfonylpiperazin-1-yl)propanoic acid (PubChem CID 62311265) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-(4-propan-2-ylsulfonylpiperazin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(4-propan-2-ylsulfonylpiperazin-1-yl)propanoic acid
PubChem CID62311265
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name2-(4-propan-2-ylsulfonylpiperazin-1-yl)propanoic acid
SMILESCC(C(=O)O)N1CCN(S(=O)(=O)C(C)C)CC1
InChIInChI=1S/C10H20N2O4S/c1-8(2)17(15,16)12-6-4-11(5-7-12)9(3)10(13)14/h8-9H,4-7H2,1-3H3,(H,13,14)
InChIKeyZFOANRBHJOUXPC-UHFFFAOYSA-N
XLogP-0.18
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylsulfonylpiperazin-1-yl)propanoic acid?
The IUPAC name of 2-(4-propan-2-ylsulfonylpiperazin-1-yl)propanoic acid (CID 62311265) is 2-(4-propan-2-ylsulfonylpiperazin-1-yl)propanoic acid.
What is the SMILES notation for 2-(4-propan-2-ylsulfonylpiperazin-1-yl)propanoic acid?
The canonical SMILES for 2-(4-propan-2-ylsulfonylpiperazin-1-yl)propanoic acid is CC(C(=O)O)N1CCN(S(=O)(=O)C(C)C)CC1.
What is the InChIKey of 2-(4-propan-2-ylsulfonylpiperazin-1-yl)propanoic acid?
The InChIKey is ZFOANRBHJOUXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-8(2)17(15,16)12-6-4-11(5-7-12)9(3)10(13)14/h8-9H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 2-(4-propan-2-ylsulfonylpiperazin-1-yl)propanoic acid?
2-(4-propan-2-ylsulfonylpiperazin-1-yl)propanoic acid has a molecular weight of 264.35 g/mol, XLogP of -0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylsulfonylpiperazin-1-yl)propanoic acid is sourced from PubChem (CID 62311265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).