3-[[2-(2H-indazol-3-yl)acetyl]amino]butanoic acid

C13H15N3O3 — CID 119221464

IUPAC3-[[2-(2H-indazol-3-yl)acetyl]amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)Cc1[nH]nc2ccccc12
InChIInChI=1S/C13H15N3O3/c1-8(6-13(18)19)14-12(17)7-11-9-4-2-3-5-10(9)15-16-11/h2-5,8H,6-7H2,1H3,(H,14,17)(H,15,16)(H,18,19)
InChIKeyJVHBGJMVMCSBQK-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.08
Rot. Bonds5

About 3-[[2-(2H-indazol-3-yl)acetyl]amino]butanoic acid

3-[[2-(2H-indazol-3-yl)acetyl]amino]butanoic acid (PubChem CID 119221464) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-[[2-(2H-indazol-3-yl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[[2-(2H-indazol-3-yl)acetyl]amino]butanoic acid
PubChem CID119221464
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name3-[[2-(2H-indazol-3-yl)acetyl]amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)Cc1[nH]nc2ccccc12
InChIInChI=1S/C13H15N3O3/c1-8(6-13(18)19)14-12(17)7-11-9-4-2-3-5-10(9)15-16-11/h2-5,8H,6-7H2,1H3,(H,14,17)(H,15,16)(H,18,19)
InChIKeyJVHBGJMVMCSBQK-UHFFFAOYSA-N
XLogP1.08
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[[2-(2H-indazol-3-yl)acetyl]amino]butanoic 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

(2R)-2-[[2-(2H-indazol-3-yl)acetyl]amino]-3-methylbutanoic acid
CID 119369285
(2R)-2-[[2-(2H-indazol-3-yl)acetyl]amino]-3-methylsulfanylpropanoic acid
CID 121494637
(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
3-[[2-(2H-indazol-3-yl)acetyl]-propan-2-ylamino]propanoic acid
CID 119207647
2-(2H-indazol-3-yl)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide
CID 118772312
N-(2-aminoethyl)-2-(2H-indazol-3-yl)acetamide;hydrochloride
CID 119384110
N-(2-amino-1-cyclohexylethyl)-2-(2H-indazol-3-yl)acetamide
CID 119590893
3-[[2-(2H-indazol-3-yl)acetyl]amino]-2-(4-methylphenyl)propanoic acid
CID 146090589
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(2H-indazol-3-yl)acetamide;hydrochloride
CID 119599173
ethyl 2-(2H-indazol-3-yl)acetate;2-(2H-indazol-3-yl)acetic acid
CID 158451727
N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-(2H-indazol-3-yl)acetamide
CID 95189916

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2H-indazol-3-yl)acetyl]amino]butanoic acid?
The IUPAC name of 3-[[2-(2H-indazol-3-yl)acetyl]amino]butanoic acid (CID 119221464) is 3-[[2-(2H-indazol-3-yl)acetyl]amino]butanoic acid.
What is the SMILES notation for 3-[[2-(2H-indazol-3-yl)acetyl]amino]butanoic acid?
The canonical SMILES for 3-[[2-(2H-indazol-3-yl)acetyl]amino]butanoic acid is CC(CC(=O)O)NC(=O)Cc1[nH]nc2ccccc12.
What is the InChIKey of 3-[[2-(2H-indazol-3-yl)acetyl]amino]butanoic acid?
The InChIKey is JVHBGJMVMCSBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-8(6-13(18)19)14-12(17)7-11-9-4-2-3-5-10(9)15-16-11/h2-5,8H,6-7H2,1H3,(H,14,17)(H,15,16)(H,18,19).
What are the key properties of 3-[[2-(2H-indazol-3-yl)acetyl]amino]butanoic acid?
3-[[2-(2H-indazol-3-yl)acetyl]amino]butanoic acid has a molecular weight of 261.28 g/mol, XLogP of 1.08, 5 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]butanoic acid is sourced from PubChem (CID 119221464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).