1-amino-3-(4-cyclopentylpiperazin-1-yl)cyclopentane-1-carboxylic acid

C15H27N3O2 — CID 79650906

IUPAC1-amino-3-(4-cyclopentylpiperazin-1-yl)cyclopentane-1-carboxylic acid
SMILESNC1(C(=O)O)CCC(N2CCN(C3CCCC3)CC2)C1
InChIInChI=1S/C15H27N3O2/c16-15(14(19)20)6-5-13(11-15)18-9-7-17(8-10-18)12-3-1-2-4-12/h12-13H,1-11,16H2,(H,19,20)
InChIKeyUKNLZSWMZVWBIL-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.88
Rot. Bonds3

About 1-amino-3-(4-cyclopentylpiperazin-1-yl)cyclopentane-1-carboxylic acid

1-amino-3-(4-cyclopentylpiperazin-1-yl)cyclopentane-1-carboxylic acid (PubChem CID 79650906) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-amino-3-(4-cyclopentylpiperazin-1-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-3-(4-cyclopentylpiperazin-1-yl)cyclopentane-1-carboxylic acid
PubChem CID79650906
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name1-amino-3-(4-cyclopentylpiperazin-1-yl)cyclopentane-1-carboxylic acid
SMILESNC1(C(=O)O)CCC(N2CCN(C3CCCC3)CC2)C1
InChIInChI=1S/C15H27N3O2/c16-15(14(19)20)6-5-13(11-15)18-9-7-17(8-10-18)12-3-1-2-4-12/h12-13H,1-11,16H2,(H,19,20)
InChIKeyUKNLZSWMZVWBIL-UHFFFAOYSA-N
XLogP0.88
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(4-cyclopentylpiperazin-1-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-amino-3-(4-cyclopentylpiperazin-1-yl)cyclopentane-1-carboxylic acid (CID 79650906) is 1-amino-3-(4-cyclopentylpiperazin-1-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-amino-3-(4-cyclopentylpiperazin-1-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-amino-3-(4-cyclopentylpiperazin-1-yl)cyclopentane-1-carboxylic acid is NC1(C(=O)O)CCC(N2CCN(C3CCCC3)CC2)C1.
What is the InChIKey of 1-amino-3-(4-cyclopentylpiperazin-1-yl)cyclopentane-1-carboxylic acid?
The InChIKey is UKNLZSWMZVWBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c16-15(14(19)20)6-5-13(11-15)18-9-7-17(8-10-18)12-3-1-2-4-12/h12-13H,1-11,16H2,(H,19,20).
What are the key properties of 1-amino-3-(4-cyclopentylpiperazin-1-yl)cyclopentane-1-carboxylic acid?
1-amino-3-(4-cyclopentylpiperazin-1-yl)cyclopentane-1-carboxylic acid has a molecular weight of 281.40 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(4-cyclopentylpiperazin-1-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79650906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).