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

C13H15N3O3 — CID 55008009

IUPAC3-[1H-indazole-3-carbonyl(methyl)amino]-2-methylpropanoic acid
SMILESCC(CN(C)C(=O)c1n[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C13H15N3O3/c1-8(13(18)19)7-16(2)12(17)11-9-5-3-4-6-10(9)14-15-11/h3-6,8H,7H2,1-2H3,(H,14,15)(H,18,19)
InChIKeyYYDAYHFTLJXGFJ-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.36
Rot. Bonds4

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

3-[1H-indazole-3-carbonyl(methyl)amino]-2-methylpropanoic acid (PubChem CID 55008009) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-[1H-indazole-3-carbonyl(methyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[1H-indazole-3-carbonyl(methyl)amino]-2-methylpropanoic acid
PubChem CID55008009
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name3-[1H-indazole-3-carbonyl(methyl)amino]-2-methylpropanoic acid
SMILESCC(CN(C)C(=O)c1n[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C13H15N3O3/c1-8(13(18)19)7-16(2)12(17)11-9-5-3-4-6-10(9)14-15-11/h3-6,8H,7H2,1-2H3,(H,14,15)(H,18,19)
InChIKeyYYDAYHFTLJXGFJ-UHFFFAOYSA-N
XLogP1.36
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(2-methylbutyl)-1H-indazole-3-carboxamide
CID 63932230
N-[(4-fluorophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide
CID 51162817
N-(3-amino-4-methylpentyl)-N-methyl-1H-indazole-3-carboxamide
CID 81484244
N-(2-cyanoethyl)-N-methyl-1H-indazole-3-carboxamide
CID 60655163
N-methyl-N-(2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 43420954
N-[(2-chlorophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide
CID 7537965
N-[(4-bromophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide
CID 43003333
N-[2-(4-fluorophenoxy)ethyl]-N-methyl-1H-indazole-3-carboxamide
CID 18119662
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide
CID 27801844
2-[1H-indazole-3-carbonyl(methyl)amino]-2-methylpropanoic acid
CID 62818630
2-[(1H-indazole-3-carbonylamino)methyl]-3-methylbutanoic acid
CID 65220058
N-(2-amino-2-oxoethyl)-N-propan-2-yl-1H-indazole-3-carboxamide
CID 60636572

Frequently Asked Questions

What is the IUPAC name of 3-[1H-indazole-3-carbonyl(methyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[1H-indazole-3-carbonyl(methyl)amino]-2-methylpropanoic acid (CID 55008009) is 3-[1H-indazole-3-carbonyl(methyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[1H-indazole-3-carbonyl(methyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[1H-indazole-3-carbonyl(methyl)amino]-2-methylpropanoic acid is CC(CN(C)C(=O)c1n[nH]c2ccccc12)C(=O)O.
What is the InChIKey of 3-[1H-indazole-3-carbonyl(methyl)amino]-2-methylpropanoic acid?
The InChIKey is YYDAYHFTLJXGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-8(13(18)19)7-16(2)12(17)11-9-5-3-4-6-10(9)14-15-11/h3-6,8H,7H2,1-2H3,(H,14,15)(H,18,19).
What are the key properties of 3-[1H-indazole-3-carbonyl(methyl)amino]-2-methylpropanoic acid?
3-[1H-indazole-3-carbonyl(methyl)amino]-2-methylpropanoic acid has a molecular weight of 261.28 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1H-indazole-3-carbonyl(methyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 55008009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).