2-(1H-indazole-3-carbonylamino)-2-methyloctanoic acid

C17H23N3O3 — CID 170858371

IUPAC2-(1H-indazole-3-carbonylamino)-2-methyloctanoic acid
SMILESCCCCCCC(C)(NC(=O)c1n[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C17H23N3O3/c1-3-4-5-8-11-17(2,16(22)23)18-15(21)14-12-9-6-7-10-13(12)19-20-14/h6-7,9-10H,3-5,8,11H2,1-2H3,(H,18,21)(H,19,20)(H,22,23)
InChIKeyGODOCGWJAXLRJU-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.11
Rot. Bonds8

About 2-(1H-indazole-3-carbonylamino)-2-methyloctanoic acid

2-(1H-indazole-3-carbonylamino)-2-methyloctanoic acid (PubChem CID 170858371) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-(1H-indazole-3-carbonylamino)-2-methyloctanoic acid.

Molecular Properties

Compound Name2-(1H-indazole-3-carbonylamino)-2-methyloctanoic acid
PubChem CID170858371
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name2-(1H-indazole-3-carbonylamino)-2-methyloctanoic acid
SMILESCCCCCCC(C)(NC(=O)c1n[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C17H23N3O3/c1-3-4-5-8-11-17(2,16(22)23)18-15(21)14-12-9-6-7-10-13(12)19-20-14/h6-7,9-10H,3-5,8,11H2,1-2H3,(H,18,21)(H,19,20)(H,22,23)
InChIKeyGODOCGWJAXLRJU-UHFFFAOYSA-N
XLogP3.11
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(1H-indazole-3-carbonylamino)-3-methylbutanoic acid
CID 64671096
2-ethyl-2-[(1H-indazole-3-carbonylamino)methyl]butanoic acid
CID 115429770
N-[3-(aminomethyl)pentan-3-yl]-1H-indazole-3-carboxamide
CID 63889553
N-(2-phenylbutyl)-1H-indazole-3-carboxamide
CID 42888594
4-[3-(1H-indazole-3-carbonylamino)propanoylamino]-4-methylpentanoic acid
CID 119357288
N-(2,3-dihydroxy-2-methylpropyl)-1H-indazole-3-carboxamide
CID 66171472
N-(2,3,3-trimethylbutyl)-1H-indazole-3-carboxamide
CID 78966222
N-[3-(N-ethylanilino)propyl]-1H-indazole-3-carboxamide
CID 41277786
2-[(1H-indazole-3-carbonylamino)methyl]-3-methylbutanoic acid
CID 65220058
N-(2-methylpropyl)-1H-indazole-3-carboxamide
CID 42477800
N-(3-ethylpentan-2-yl)-1H-indazole-3-carboxamide
CID 63851037
N-[(2S)-4-methyl-4-phenylpentan-2-yl]-1H-indazole-3-carboxamide
CID 52768115

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazole-3-carbonylamino)-2-methyloctanoic acid?
The IUPAC name of 2-(1H-indazole-3-carbonylamino)-2-methyloctanoic acid (CID 170858371) is 2-(1H-indazole-3-carbonylamino)-2-methyloctanoic acid.
What is the SMILES notation for 2-(1H-indazole-3-carbonylamino)-2-methyloctanoic acid?
The canonical SMILES for 2-(1H-indazole-3-carbonylamino)-2-methyloctanoic acid is CCCCCCC(C)(NC(=O)c1n[nH]c2ccccc12)C(=O)O.
What is the InChIKey of 2-(1H-indazole-3-carbonylamino)-2-methyloctanoic acid?
The InChIKey is GODOCGWJAXLRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-3-4-5-8-11-17(2,16(22)23)18-15(21)14-12-9-6-7-10-13(12)19-20-14/h6-7,9-10H,3-5,8,11H2,1-2H3,(H,18,21)(H,19,20)(H,22,23).
What are the key properties of 2-(1H-indazole-3-carbonylamino)-2-methyloctanoic acid?
2-(1H-indazole-3-carbonylamino)-2-methyloctanoic acid has a molecular weight of 317.39 g/mol, XLogP of 3.11, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indazole-3-carbonylamino)-2-methyloctanoic acid is sourced from PubChem (CID 170858371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).