3-(6-amino-3-pyridinyl)-2-(1-cyclopentylimidazol-4-yl)propanoic acid

C16H20N4O2 — CID 69252172

IUPAC3-(6-amino-3-pyridinyl)-2-(1-cyclopentylimidazol-4-yl)propanoic acid
SMILESNc1ccc(CC(C(=O)O)c2cn(C3CCCC3)cn2)cn1
InChIInChI=1S/C16H20N4O2/c17-15-6-5-11(8-18-15)7-13(16(21)22)14-9-20(10-19-14)12-3-1-2-4-12/h5-6,8-10,12-13H,1-4,7H2,(H2,17,18)(H,21,22)
InChIKeyIQZKZQSOVLMDRA-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.39
Rot. Bonds5

About 3-(6-amino-3-pyridinyl)-2-(1-cyclopentylimidazol-4-yl)propanoic acid

3-(6-amino-3-pyridinyl)-2-(1-cyclopentylimidazol-4-yl)propanoic acid (PubChem CID 69252172) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-(6-amino-3-pyridinyl)-2-(1-cyclopentylimidazol-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(6-amino-3-pyridinyl)-2-(1-cyclopentylimidazol-4-yl)propanoic acid
PubChem CID69252172
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name3-(6-amino-3-pyridinyl)-2-(1-cyclopentylimidazol-4-yl)propanoic acid
SMILESNc1ccc(CC(C(=O)O)c2cn(C3CCCC3)cn2)cn1
InChIInChI=1S/C16H20N4O2/c17-15-6-5-11(8-18-15)7-13(16(21)22)14-9-20(10-19-14)12-3-1-2-4-12/h5-6,8-10,12-13H,1-4,7H2,(H2,17,18)(H,21,22)
InChIKeyIQZKZQSOVLMDRA-UHFFFAOYSA-N
XLogP2.39
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6-amino-3-pyridinyl)-2-(1-cyclopentylimidazol-4-yl)propanoic acid?
The IUPAC name of 3-(6-amino-3-pyridinyl)-2-(1-cyclopentylimidazol-4-yl)propanoic acid (CID 69252172) is 3-(6-amino-3-pyridinyl)-2-(1-cyclopentylimidazol-4-yl)propanoic acid.
What is the SMILES notation for 3-(6-amino-3-pyridinyl)-2-(1-cyclopentylimidazol-4-yl)propanoic acid?
The canonical SMILES for 3-(6-amino-3-pyridinyl)-2-(1-cyclopentylimidazol-4-yl)propanoic acid is Nc1ccc(CC(C(=O)O)c2cn(C3CCCC3)cn2)cn1.
What is the InChIKey of 3-(6-amino-3-pyridinyl)-2-(1-cyclopentylimidazol-4-yl)propanoic acid?
The InChIKey is IQZKZQSOVLMDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c17-15-6-5-11(8-18-15)7-13(16(21)22)14-9-20(10-19-14)12-3-1-2-4-12/h5-6,8-10,12-13H,1-4,7H2,(H2,17,18)(H,21,22).
What are the key properties of 3-(6-amino-3-pyridinyl)-2-(1-cyclopentylimidazol-4-yl)propanoic acid?
3-(6-amino-3-pyridinyl)-2-(1-cyclopentylimidazol-4-yl)propanoic acid has a molecular weight of 300.36 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-amino-3-pyridinyl)-2-(1-cyclopentylimidazol-4-yl)propanoic acid is sourced from PubChem (CID 69252172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).