2-[1H-indazole-3-carbonyl(methyl)amino]-2-methylpropanoic acid

C13H15N3O3 — CID 62818630

IUPAC2-[1H-indazole-3-carbonyl(methyl)amino]-2-methylpropanoic acid
SMILESCN(C(=O)c1n[nH]c2ccccc12)C(C)(C)C(=O)O
InChIInChI=1S/C13H15N3O3/c1-13(2,12(18)19)16(3)11(17)10-8-6-4-5-7-9(8)14-15-10/h4-7H,1-3H3,(H,14,15)(H,18,19)
InChIKeyRUJQSAKLAOVQHC-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.50
Rot. Bonds3

About 2-[1H-indazole-3-carbonyl(methyl)amino]-2-methylpropanoic acid

2-[1H-indazole-3-carbonyl(methyl)amino]-2-methylpropanoic acid (PubChem CID 62818630) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-[1H-indazole-3-carbonyl(methyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[1H-indazole-3-carbonyl(methyl)amino]-2-methylpropanoic acid
PubChem CID62818630
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name2-[1H-indazole-3-carbonyl(methyl)amino]-2-methylpropanoic acid
SMILESCN(C(=O)c1n[nH]c2ccccc12)C(C)(C)C(=O)O
InChIInChI=1S/C13H15N3O3/c1-13(2,12(18)19)16(3)11(17)10-8-6-4-5-7-9(8)14-15-10/h4-7H,1-3H3,(H,14,15)(H,18,19)
InChIKeyRUJQSAKLAOVQHC-UHFFFAOYSA-N
XLogP1.50
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;N-methoxy-N-methyl-1H-indazole-3-carboxamide
CID 142077122
2-[1H-indole-3-carbonyl(methyl)amino]-2-methylpropanoic acid
CID 62818979
3-[1H-indazole-3-carbonyl(methyl)amino]-2-methylpropanoic acid
CID 55008009
1-(1H-indazol-3-yl)ethanone
CID 15684169
N-methyl-N-pyridin-2-yl-1H-indazole-3-carboxamide
CID 64983096
N-[(4-fluorophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide
CID 51162817
N-(3-hydroxyphenyl)-N-methyl-1H-indazole-3-carboxamide
CID 107735760
2-ethyl-2-[(1H-indazole-3-carbonylamino)methyl]butanoic acid
CID 115429770
N-(2-cyanoethyl)-N-methyl-1H-indazole-3-carboxamide
CID 60655163
N-methyl-N-(2-methylbutyl)-1H-indazole-3-carboxamide
CID 63932230
N-methyl-N-(3-methylphenyl)-1H-indazole-3-carboxamide
CID 62949104
N-[(2-chlorophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide
CID 7537965

Frequently Asked Questions

What is the IUPAC name of 2-[1H-indazole-3-carbonyl(methyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[1H-indazole-3-carbonyl(methyl)amino]-2-methylpropanoic acid (CID 62818630) is 2-[1H-indazole-3-carbonyl(methyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[1H-indazole-3-carbonyl(methyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[1H-indazole-3-carbonyl(methyl)amino]-2-methylpropanoic acid is CN(C(=O)c1n[nH]c2ccccc12)C(C)(C)C(=O)O.
What is the InChIKey of 2-[1H-indazole-3-carbonyl(methyl)amino]-2-methylpropanoic acid?
The InChIKey is RUJQSAKLAOVQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-13(2,12(18)19)16(3)11(17)10-8-6-4-5-7-9(8)14-15-10/h4-7H,1-3H3,(H,14,15)(H,18,19).
What are the key properties of 2-[1H-indazole-3-carbonyl(methyl)amino]-2-methylpropanoic acid?
2-[1H-indazole-3-carbonyl(methyl)amino]-2-methylpropanoic acid has a molecular weight of 261.28 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1H-indazole-3-carbonyl(methyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 62818630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).