4-[(6-cyclopentylpyridazin-3-yl)-methylamino]butanoic acid

C14H21N3O2 — CID 116973746

IUPAC4-[(6-cyclopentylpyridazin-3-yl)-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)c1ccc(C2CCCC2)nn1
InChIInChI=1S/C14H21N3O2/c1-17(10-4-7-14(18)19)13-9-8-12(15-16-13)11-5-2-3-6-11/h8-9,11H,2-7,10H2,1H3,(H,18,19)
InChIKeyBJTIDWYQVVQECR-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.44
Rot. Bonds6

About 4-[(6-cyclopentylpyridazin-3-yl)-methylamino]butanoic acid

4-[(6-cyclopentylpyridazin-3-yl)-methylamino]butanoic acid (PubChem CID 116973746) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[(6-cyclopentylpyridazin-3-yl)-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[(6-cyclopentylpyridazin-3-yl)-methylamino]butanoic acid
PubChem CID116973746
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-[(6-cyclopentylpyridazin-3-yl)-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)c1ccc(C2CCCC2)nn1
InChIInChI=1S/C14H21N3O2/c1-17(10-4-7-14(18)19)13-9-8-12(15-16-13)11-5-2-3-6-11/h8-9,11H,2-7,10H2,1H3,(H,18,19)
InChIKeyBJTIDWYQVVQECR-UHFFFAOYSA-N
XLogP2.44
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-cyclopentylpyridazin-3-yl)-methylamino]butanoic acid?
The IUPAC name of 4-[(6-cyclopentylpyridazin-3-yl)-methylamino]butanoic acid (CID 116973746) is 4-[(6-cyclopentylpyridazin-3-yl)-methylamino]butanoic acid.
What is the SMILES notation for 4-[(6-cyclopentylpyridazin-3-yl)-methylamino]butanoic acid?
The canonical SMILES for 4-[(6-cyclopentylpyridazin-3-yl)-methylamino]butanoic acid is CN(CCCC(=O)O)c1ccc(C2CCCC2)nn1.
What is the InChIKey of 4-[(6-cyclopentylpyridazin-3-yl)-methylamino]butanoic acid?
The InChIKey is BJTIDWYQVVQECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-17(10-4-7-14(18)19)13-9-8-12(15-16-13)11-5-2-3-6-11/h8-9,11H,2-7,10H2,1H3,(H,18,19).
What are the key properties of 4-[(6-cyclopentylpyridazin-3-yl)-methylamino]butanoic acid?
4-[(6-cyclopentylpyridazin-3-yl)-methylamino]butanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-cyclopentylpyridazin-3-yl)-methylamino]butanoic acid is sourced from PubChem (CID 116973746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).