5-[(2-indazol-1-ylacetyl)amino]pentanoic acid

C14H17N3O3 — CID 119234556

IUPAC5-[(2-indazol-1-ylacetyl)amino]pentanoic acid
SMILESO=C(O)CCCCNC(=O)Cn1ncc2ccccc21
InChIInChI=1S/C14H17N3O3/c18-13(15-8-4-3-7-14(19)20)10-17-12-6-2-1-5-11(12)9-16-17/h1-2,5-6,9H,3-4,7-8,10H2,(H,15,18)(H,19,20)
InChIKeyBARLUGKMYQNTEU-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.41
Rot. Bonds7

About 5-[(2-indazol-1-ylacetyl)amino]pentanoic acid

5-[(2-indazol-1-ylacetyl)amino]pentanoic acid (PubChem CID 119234556) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 5-[(2-indazol-1-ylacetyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-[(2-indazol-1-ylacetyl)amino]pentanoic acid
PubChem CID119234556
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name5-[(2-indazol-1-ylacetyl)amino]pentanoic acid
SMILESO=C(O)CCCCNC(=O)Cn1ncc2ccccc21
InChIInChI=1S/C14H17N3O3/c18-13(15-8-4-3-7-14(19)20)10-17-12-6-2-1-5-11(12)9-16-17/h1-2,5-6,9H,3-4,7-8,10H2,(H,15,18)(H,19,20)
InChIKeyBARLUGKMYQNTEU-UHFFFAOYSA-N
XLogP1.41
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-indazol-1-yl-N-[2-(methylamino)ethyl]acetamide
CID 124684501
7-[(2-indol-1-ylacetyl)amino]heptanoic acid
CID 119227491
3-indazol-1-ylpropanoic acid
CID 805922
N-(3-indazol-1-ylpropyl)-3-methylsulfonylpropanamide
CID 131934698
2-(6-methylindazol-1-yl)-N-(3-phenylpropyl)acetamide
CID 22509817
(2S)-2-[(2-indazol-1-ylacetyl)amino]propanoic acid
CID 119238085
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(3-indazol-1-ylpropyl)acetamide
CID 131914311
N-(3-indazol-1-ylpropyl)-2-(2-phenylimidazol-1-yl)acetamide
CID 72885643
2-indazol-1-yl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]acetamide
CID 90652276
N-(3-hydroxypropyl)-2-(1-oxophthalazin-2-yl)acetamide
CID 110886182
N-nonyl-2-(1-oxophthalazin-2-yl)acetamide
CID 46576898
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-indazol-1-ylacetamide
CID 111441933

Frequently Asked Questions

What is the IUPAC name of 5-[(2-indazol-1-ylacetyl)amino]pentanoic acid?
The IUPAC name of 5-[(2-indazol-1-ylacetyl)amino]pentanoic acid (CID 119234556) is 5-[(2-indazol-1-ylacetyl)amino]pentanoic acid.
What is the SMILES notation for 5-[(2-indazol-1-ylacetyl)amino]pentanoic acid?
The canonical SMILES for 5-[(2-indazol-1-ylacetyl)amino]pentanoic acid is O=C(O)CCCCNC(=O)Cn1ncc2ccccc21.
What is the InChIKey of 5-[(2-indazol-1-ylacetyl)amino]pentanoic acid?
The InChIKey is BARLUGKMYQNTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c18-13(15-8-4-3-7-14(19)20)10-17-12-6-2-1-5-11(12)9-16-17/h1-2,5-6,9H,3-4,7-8,10H2,(H,15,18)(H,19,20).
What are the key properties of 5-[(2-indazol-1-ylacetyl)amino]pentanoic acid?
5-[(2-indazol-1-ylacetyl)amino]pentanoic acid has a molecular weight of 275.31 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-indazol-1-ylacetyl)amino]pentanoic acid is sourced from PubChem (CID 119234556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).