2-[(1H-indazole-3-carbonylamino)methyl]-3-methylbutanoic acid

C14H17N3O3 — CID 65220058

IUPAC2-[(1H-indazole-3-carbonylamino)methyl]-3-methylbutanoic acid
SMILESCC(C)C(CNC(=O)c1n[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C14H17N3O3/c1-8(2)10(14(19)20)7-15-13(18)12-9-5-3-4-6-11(9)16-17-12/h3-6,8,10H,7H2,1-2H3,(H,15,18)(H,16,17)(H,19,20)
InChIKeyOLNWCNWNJJZGQX-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.65
Rot. Bonds5

About 2-[(1H-indazole-3-carbonylamino)methyl]-3-methylbutanoic acid

2-[(1H-indazole-3-carbonylamino)methyl]-3-methylbutanoic acid (PubChem CID 65220058) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[(1H-indazole-3-carbonylamino)methyl]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[(1H-indazole-3-carbonylamino)methyl]-3-methylbutanoic acid
PubChem CID65220058
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-[(1H-indazole-3-carbonylamino)methyl]-3-methylbutanoic acid
SMILESCC(C)C(CNC(=O)c1n[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C14H17N3O3/c1-8(2)10(14(19)20)7-15-13(18)12-9-5-3-4-6-11(9)16-17-12/h3-6,8,10H,7H2,1-2H3,(H,15,18)(H,16,17)(H,19,20)
InChIKeyOLNWCNWNJJZGQX-UHFFFAOYSA-N
XLogP1.65
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(1H-indazole-3-carbonylamino)methyl]-3-methylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,3,3-trimethylbutyl)-1H-indazole-3-carboxamide
CID 78966222
N-(2-methylpropyl)-1H-indazole-3-carboxamide
CID 42477800
N-(2-methylsulfanylpropyl)-1H-indazole-3-carboxamide
CID 113322050
N-(2-phenylbutyl)-1H-indazole-3-carboxamide
CID 42888594
N-[3-(2-methylpropylamino)-3-oxopropyl]-1H-indazole-3-carboxamide
CID 115605737
2-[(1H-indazole-3-carbonylamino)methyl]-3-(2-methoxyphenyl)propanoic acid
CID 170858615
2-ethyl-2-[(1H-indazole-3-carbonylamino)methyl]butanoic acid
CID 115429770
N-(3-ethylpentan-2-yl)-1H-indazole-3-carboxamide
CID 63851037
3-methyl-2-[[(1-methylindazole-3-carbonyl)amino]methyl]butanoic acid
CID 103116907
N-[(2S)-4-methyl-4-phenylpentan-2-yl]-1H-indazole-3-carboxamide
CID 52768115
N-(2,3-dihydroxy-2-methylpropyl)-1H-indazole-3-carboxamide
CID 66171472
3-(1H-indazole-3-carbonylamino)-3-methylbutanoic acid
CID 64671096

Frequently Asked Questions

What is the IUPAC name of 2-[(1H-indazole-3-carbonylamino)methyl]-3-methylbutanoic acid?
The IUPAC name of 2-[(1H-indazole-3-carbonylamino)methyl]-3-methylbutanoic acid (CID 65220058) is 2-[(1H-indazole-3-carbonylamino)methyl]-3-methylbutanoic acid.
What is the SMILES notation for 2-[(1H-indazole-3-carbonylamino)methyl]-3-methylbutanoic acid?
The canonical SMILES for 2-[(1H-indazole-3-carbonylamino)methyl]-3-methylbutanoic acid is CC(C)C(CNC(=O)c1n[nH]c2ccccc12)C(=O)O.
What is the InChIKey of 2-[(1H-indazole-3-carbonylamino)methyl]-3-methylbutanoic acid?
The InChIKey is OLNWCNWNJJZGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-8(2)10(14(19)20)7-15-13(18)12-9-5-3-4-6-11(9)16-17-12/h3-6,8,10H,7H2,1-2H3,(H,15,18)(H,16,17)(H,19,20).
What are the key properties of 2-[(1H-indazole-3-carbonylamino)methyl]-3-methylbutanoic acid?
2-[(1H-indazole-3-carbonylamino)methyl]-3-methylbutanoic acid has a molecular weight of 275.31 g/mol, XLogP of 1.65, 5 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)methyl]-3-methylbutanoic acid is sourced from PubChem (CID 65220058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).