2-[4-[(3,3-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]propanoic acid

C15H27N3O3 — CID 114549086

IUPAC2-[4-[(3,3-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(C(=O)NC2CCC(C)(C)C2)CC1
InChIInChI=1S/C15H27N3O3/c1-11(13(19)20)17-6-8-18(9-7-17)14(21)16-12-4-5-15(2,3)10-12/h11-12H,4-10H2,1-3H3,(H,16,21)(H,19,20)
InChIKeyAXBLDCADZKCHNL-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.37
Rot. Bonds3

About 2-[4-[(3,3-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]propanoic acid

2-[4-[(3,3-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]propanoic acid (PubChem CID 114549086) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[4-[(3,3-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-[(3,3-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]propanoic acid
PubChem CID114549086
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name2-[4-[(3,3-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(C(=O)NC2CCC(C)(C)C2)CC1
InChIInChI=1S/C15H27N3O3/c1-11(13(19)20)17-6-8-18(9-7-17)14(21)16-12-4-5-15(2,3)10-12/h11-12H,4-10H2,1-3H3,(H,16,21)(H,19,20)
InChIKeyAXBLDCADZKCHNL-UHFFFAOYSA-N
XLogP1.37
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,3-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]propanoic acid?
The IUPAC name of 2-[4-[(3,3-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]propanoic acid (CID 114549086) is 2-[4-[(3,3-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-[(3,3-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-[(3,3-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]propanoic acid is CC(C(=O)O)N1CCN(C(=O)NC2CCC(C)(C)C2)CC1.
What is the InChIKey of 2-[4-[(3,3-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]propanoic acid?
The InChIKey is AXBLDCADZKCHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-11(13(19)20)17-6-8-18(9-7-17)14(21)16-12-4-5-15(2,3)10-12/h11-12H,4-10H2,1-3H3,(H,16,21)(H,19,20).
What are the key properties of 2-[4-[(3,3-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]propanoic acid?
2-[4-[(3,3-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]propanoic acid has a molecular weight of 297.40 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,3-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]propanoic acid is sourced from PubChem (CID 114549086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).