3-[[2-(2H-indazol-3-yl)acetyl]amino]-2-(4-methylphenyl)propanoic acid

C19H19N3O3 — CID 146090589

IUPAC3-[[2-(2H-indazol-3-yl)acetyl]amino]-2-(4-methylphenyl)propanoic acid
SMILESCc1ccc(C(CNC(=O)Cc2[nH]nc3ccccc23)C(=O)O)cc1
InChIInChI=1S/C19H19N3O3/c1-12-6-8-13(9-7-12)15(19(24)25)11-20-18(23)10-17-14-4-2-3-5-16(14)21-22-17/h2-9,15H,10-11H2,1H3,(H,20,23)(H,21,22)(H,24,25)
InChIKeyBBSZWCZGROCGCC-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.40
Rot. Bonds6

About 3-[[2-(2H-indazol-3-yl)acetyl]amino]-2-(4-methylphenyl)propanoic acid

3-[[2-(2H-indazol-3-yl)acetyl]amino]-2-(4-methylphenyl)propanoic acid (PubChem CID 146090589) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 3-[[2-(2H-indazol-3-yl)acetyl]amino]-2-(4-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-[[2-(2H-indazol-3-yl)acetyl]amino]-2-(4-methylphenyl)propanoic acid
PubChem CID146090589
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name3-[[2-(2H-indazol-3-yl)acetyl]amino]-2-(4-methylphenyl)propanoic acid
SMILESCc1ccc(C(CNC(=O)Cc2[nH]nc3ccccc23)C(=O)O)cc1
InChIInChI=1S/C19H19N3O3/c1-12-6-8-13(9-7-12)15(19(24)25)11-20-18(23)10-17-14-4-2-3-5-16(14)21-22-17/h2-9,15H,10-11H2,1H3,(H,20,23)(H,21,22)(H,24,25)
InChIKeyBBSZWCZGROCGCC-UHFFFAOYSA-N
XLogP2.40
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[[2-(2H-indazol-3-yl)acetyl]amino]-2-(4-methylphenyl)propanoic 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

(2S)-2-[[2-[[2-(2H-indazol-3-yl)acetyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 120695229
N-[(2R)-2-(ethylamino)propyl]-2-(2H-indazol-3-yl)acetamide;hydrochloride
CID 120652726
(2R)-2-[[2-(2H-indazol-3-yl)acetyl]amino]-3-methylbutanoic acid
CID 119369285
3-[[2-(2H-indazol-3-yl)acetyl]amino]butanoic acid
CID 119221464
(2R)-2-[[2-(2H-indazol-3-yl)acetyl]amino]-3-methylsulfanylpropanoic acid
CID 121494637
N-(2-aminoethyl)-2-(2H-indazol-3-yl)acetamide;hydrochloride
CID 119384110
3-[[2-[3-(4-methylphenyl)propanoylamino]acetyl]amino]-2-phenylpropanoic acid
CID 119254809
N-[1-[[2-(2H-indazol-3-yl)acetyl]amino]butan-2-yl]-1H-pyrazole-4-carboxamide
CID 167971344
2-phenyl-3-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoic acid
CID 120528796
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2H-indazol-3-yl)acetamide
CID 49373016
3-[3-(2,4-dimethylphenyl)propanoylamino]-2-phenylpropanoic acid
CID 119254764
(2R)-2-amino-3-(2H-indazol-3-yl)propanoic acid
CID 90478787

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2H-indazol-3-yl)acetyl]amino]-2-(4-methylphenyl)propanoic acid?
The IUPAC name of 3-[[2-(2H-indazol-3-yl)acetyl]amino]-2-(4-methylphenyl)propanoic acid (CID 146090589) is 3-[[2-(2H-indazol-3-yl)acetyl]amino]-2-(4-methylphenyl)propanoic acid.
What is the SMILES notation for 3-[[2-(2H-indazol-3-yl)acetyl]amino]-2-(4-methylphenyl)propanoic acid?
The canonical SMILES for 3-[[2-(2H-indazol-3-yl)acetyl]amino]-2-(4-methylphenyl)propanoic acid is Cc1ccc(C(CNC(=O)Cc2[nH]nc3ccccc23)C(=O)O)cc1.
What is the InChIKey of 3-[[2-(2H-indazol-3-yl)acetyl]amino]-2-(4-methylphenyl)propanoic acid?
The InChIKey is BBSZWCZGROCGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-12-6-8-13(9-7-12)15(19(24)25)11-20-18(23)10-17-14-4-2-3-5-16(14)21-22-17/h2-9,15H,10-11H2,1H3,(H,20,23)(H,21,22)(H,24,25).
What are the key properties of 3-[[2-(2H-indazol-3-yl)acetyl]amino]-2-(4-methylphenyl)propanoic acid?
3-[[2-(2H-indazol-3-yl)acetyl]amino]-2-(4-methylphenyl)propanoic acid has a molecular weight of 337.38 g/mol, XLogP of 2.40, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2H-indazol-3-yl)acetyl]amino]-2-(4-methylphenyl)propanoic acid is sourced from PubChem (CID 146090589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).