3-[[2-(1-methylindazol-3-yl)acetyl]amino]-3-(2-methylphenyl)propanoic acid

C20H21N3O3 — CID 122108200

IUPAC3-[[2-(1-methylindazol-3-yl)acetyl]amino]-3-(2-methylphenyl)propanoic acid
SMILESCc1ccccc1C(CC(=O)O)NC(=O)Cc1nn(C)c2ccccc12
InChIInChI=1S/C20H21N3O3/c1-13-7-3-4-8-14(13)16(12-20(25)26)21-19(24)11-17-15-9-5-6-10-18(15)23(2)22-17/h3-10,16H,11-12H2,1-2H3,(H,21,24)(H,25,26)
InChIKeyAZCWTDNGOOMDFI-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.76
Rot. Bonds6

About 3-[[2-(1-methylindazol-3-yl)acetyl]amino]-3-(2-methylphenyl)propanoic acid

3-[[2-(1-methylindazol-3-yl)acetyl]amino]-3-(2-methylphenyl)propanoic acid (PubChem CID 122108200) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-[[2-(1-methylindazol-3-yl)acetyl]amino]-3-(2-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-[[2-(1-methylindazol-3-yl)acetyl]amino]-3-(2-methylphenyl)propanoic acid
PubChem CID122108200
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name3-[[2-(1-methylindazol-3-yl)acetyl]amino]-3-(2-methylphenyl)propanoic acid
SMILESCc1ccccc1C(CC(=O)O)NC(=O)Cc1nn(C)c2ccccc12
InChIInChI=1S/C20H21N3O3/c1-13-7-3-4-8-14(13)16(12-20(25)26)21-19(24)11-17-15-9-5-6-10-18(15)23(2)22-17/h3-10,16H,11-12H2,1-2H3,(H,21,24)(H,25,26)
InChIKeyAZCWTDNGOOMDFI-UHFFFAOYSA-N
XLogP2.76
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[2-(1-methylindazol-3-yl)acetyl]amino]propanoic acid
CID 122107924
3-methyl-2-[[2-(1-methylindazol-3-yl)acetyl]amino]butanoic acid
CID 122107082
2-(1-methylindazol-3-yl)acetamide
CID 67465474
3-(methylamino)-3-(2-methylphenyl)propanoic acid
CID 65236485
4-methyl-1-(1-methylindazol-3-yl)hexan-2-one
CID 115778384
2-[[2-(1-methylindazol-3-yl)acetyl]-(2-methylpropyl)amino]acetic acid
CID 122107320
2-[methyl-[2-(1-methylindazol-3-yl)acetyl]amino]acetic acid
CID 122107123
3-[3-chloro-2-(2-methylphenyl)propyl]-1-methylindazole
CID 79424447
2-(1,7-dimethylindazol-3-yl)acetic acid
CID 83908649
2-[(2-methoxyphenyl)methyl]-3-[[2-(1-methylindazol-3-yl)acetyl]amino]propanoic acid
CID 122108251
2-methyl-2-[4-[[2-(1-methylindazol-3-yl)acetyl]amino]pyrazol-1-yl]propanoic acid
CID 122108719
3-(2-ethylbutanoylamino)-3-(2-methylphenyl)propanoic acid
CID 120606642

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(1-methylindazol-3-yl)acetyl]amino]-3-(2-methylphenyl)propanoic acid?
The IUPAC name of 3-[[2-(1-methylindazol-3-yl)acetyl]amino]-3-(2-methylphenyl)propanoic acid (CID 122108200) is 3-[[2-(1-methylindazol-3-yl)acetyl]amino]-3-(2-methylphenyl)propanoic acid.
What is the SMILES notation for 3-[[2-(1-methylindazol-3-yl)acetyl]amino]-3-(2-methylphenyl)propanoic acid?
The canonical SMILES for 3-[[2-(1-methylindazol-3-yl)acetyl]amino]-3-(2-methylphenyl)propanoic acid is Cc1ccccc1C(CC(=O)O)NC(=O)Cc1nn(C)c2ccccc12.
What is the InChIKey of 3-[[2-(1-methylindazol-3-yl)acetyl]amino]-3-(2-methylphenyl)propanoic acid?
The InChIKey is AZCWTDNGOOMDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-13-7-3-4-8-14(13)16(12-20(25)26)21-19(24)11-17-15-9-5-6-10-18(15)23(2)22-17/h3-10,16H,11-12H2,1-2H3,(H,21,24)(H,25,26).
What are the key properties of 3-[[2-(1-methylindazol-3-yl)acetyl]amino]-3-(2-methylphenyl)propanoic acid?
3-[[2-(1-methylindazol-3-yl)acetyl]amino]-3-(2-methylphenyl)propanoic acid has a molecular weight of 351.41 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(1-methylindazol-3-yl)acetyl]amino]-3-(2-methylphenyl)propanoic acid is sourced from PubChem (CID 122108200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).