3-(1H-indazole-3-carbonylamino)-3-methylbutanoic acid

C13H15N3O3 — CID 64671096

IUPAC3-(1H-indazole-3-carbonylamino)-3-methylbutanoic acid
SMILESCC(C)(CC(=O)O)NC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C13H15N3O3/c1-13(2,7-10(17)18)14-12(19)11-8-5-3-4-6-9(8)15-16-11/h3-6H,7H2,1-2H3,(H,14,19)(H,15,16)(H,17,18)
InChIKeyWPKBUNPBAAUBNO-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.55
Rot. Bonds4

About 3-(1H-indazole-3-carbonylamino)-3-methylbutanoic acid

3-(1H-indazole-3-carbonylamino)-3-methylbutanoic acid (PubChem CID 64671096) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-(1H-indazole-3-carbonylamino)-3-methylbutanoic acid.

Molecular Properties

Compound Name3-(1H-indazole-3-carbonylamino)-3-methylbutanoic acid
PubChem CID64671096
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name3-(1H-indazole-3-carbonylamino)-3-methylbutanoic acid
SMILESCC(C)(CC(=O)O)NC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C13H15N3O3/c1-13(2,7-10(17)18)14-12(19)11-8-5-3-4-6-9(8)15-16-11/h3-6H,7H2,1-2H3,(H,14,19)(H,15,16)(H,17,18)
InChIKeyWPKBUNPBAAUBNO-UHFFFAOYSA-N
XLogP1.55
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(1H-indazole-3-carbonylamino)propanoylamino]-4-methylpentanoic acid
CID 119357288
2-(1H-indazole-3-carbonylamino)-2-methyloctanoic acid
CID 170858371
N-[3-(aminomethyl)pentan-3-yl]-1H-indazole-3-carboxamide
CID 63889553
N-(3-ethylpent-1-yn-3-yl)-1H-indazole-3-carboxamide
CID 18225967
N-(2,3-dihydroxy-2-methylpropyl)-1H-indazole-3-carboxamide
CID 66171472
N-(2,3,3-trimethylbutyl)-1H-indazole-3-carboxamide
CID 78966222
2-[(1H-indazole-3-carbonylamino)methyl]-3-methylbutanoic acid
CID 65220058
2-ethyl-2-[(1H-indazole-3-carbonylamino)methyl]butanoic acid
CID 115429770
N-(2-methylpropyl)-1H-indazole-3-carboxamide
CID 42477800
N-(2-phenylbutyl)-1H-indazole-3-carboxamide
CID 42888594
N-[(2S)-4-methyl-4-phenylpentan-2-yl]-1H-indazole-3-carboxamide
CID 52768115
N-methoxy-1H-indazole-3-carboxamide
CID 60722689

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indazole-3-carbonylamino)-3-methylbutanoic acid?
The IUPAC name of 3-(1H-indazole-3-carbonylamino)-3-methylbutanoic acid (CID 64671096) is 3-(1H-indazole-3-carbonylamino)-3-methylbutanoic acid.
What is the SMILES notation for 3-(1H-indazole-3-carbonylamino)-3-methylbutanoic acid?
The canonical SMILES for 3-(1H-indazole-3-carbonylamino)-3-methylbutanoic acid is CC(C)(CC(=O)O)NC(=O)c1n[nH]c2ccccc12.
What is the InChIKey of 3-(1H-indazole-3-carbonylamino)-3-methylbutanoic acid?
The InChIKey is WPKBUNPBAAUBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-13(2,7-10(17)18)14-12(19)11-8-5-3-4-6-9(8)15-16-11/h3-6H,7H2,1-2H3,(H,14,19)(H,15,16)(H,17,18).
What are the key properties of 3-(1H-indazole-3-carbonylamino)-3-methylbutanoic acid?
3-(1H-indazole-3-carbonylamino)-3-methylbutanoic acid has a molecular weight of 261.28 g/mol, XLogP of 1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indazole-3-carbonylamino)-3-methylbutanoic acid is sourced from PubChem (CID 64671096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).