2-[(3,5-dimethoxyphenyl)methyl-[2-(2H-indazol-3-yl)acetyl]amino]acetic acid

C20H21N3O5 — CID 119197747

IUPAC2-[(3,5-dimethoxyphenyl)methyl-[2-(2H-indazol-3-yl)acetyl]amino]acetic acid
SMILESCOc1cc(CN(CC(=O)O)C(=O)Cc2[nH]nc3ccccc23)cc(OC)c1
InChIInChI=1S/C20H21N3O5/c1-27-14-7-13(8-15(9-14)28-2)11-23(12-20(25)26)19(24)10-18-16-5-3-4-6-17(16)21-22-18/h3-9H,10-12H2,1-2H3,(H,21,22)(H,25,26)
InChIKeyOLMJRDXGDMZHPV-UHFFFAOYSA-N
MW383.40 g/mol
LogP2.24
Rot. Bonds8

About 2-[(3,5-dimethoxyphenyl)methyl-[2-(2H-indazol-3-yl)acetyl]amino]acetic acid

2-[(3,5-dimethoxyphenyl)methyl-[2-(2H-indazol-3-yl)acetyl]amino]acetic acid (PubChem CID 119197747) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is 2-[(3,5-dimethoxyphenyl)methyl-[2-(2H-indazol-3-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(3,5-dimethoxyphenyl)methyl-[2-(2H-indazol-3-yl)acetyl]amino]acetic acid
PubChem CID119197747
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC Name2-[(3,5-dimethoxyphenyl)methyl-[2-(2H-indazol-3-yl)acetyl]amino]acetic acid
SMILESCOc1cc(CN(CC(=O)O)C(=O)Cc2[nH]nc3ccccc23)cc(OC)c1
InChIInChI=1S/C20H21N3O5/c1-27-14-7-13(8-15(9-14)28-2)11-23(12-20(25)26)19(24)10-18-16-5-3-4-6-17(16)21-22-18/h3-9H,10-12H2,1-2H3,(H,21,22)(H,25,26)
InChIKeyOLMJRDXGDMZHPV-UHFFFAOYSA-N
XLogP2.24
TPSA104.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,5-dimethoxyphenyl)methyl-[2-(3-methoxyphenyl)acetyl]amino]acetic acid
CID 119197685
2-[(3,5-dimethoxyphenyl)methyl-(4-phenylbutanoyl)amino]acetic acid
CID 119197642
2-[[2-(2,6-difluorophenyl)acetyl]-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid
CID 120518105
2-[(3,5-dimethoxyphenyl)methyl-(2-ethoxyacetyl)amino]acetic acid
CID 119197506
3-[ethyl-[2-(2H-indazol-3-yl)acetyl]amino]propanoic acid
CID 119191644
2-[(4-methoxyphenyl)methyl-[2-(9-methylcarbazol-2-yl)acetyl]amino]acetic acid
CID 110165717
2-[(3,5-dimethoxyphenyl)methyl-[3-(1,3-thiazol-2-yl)propanoyl]amino]acetic acid
CID 119197724
2-[(3,5-dimethoxyphenyl)methyl-(3-thiophen-3-ylpropanoyl)amino]acetic acid
CID 119197524
2-[[2-(2H-indazol-3-yl)acetyl]-methylamino]-2-methylpropanoic acid
CID 119200733
2-[(3,5-dimethoxyphenyl)methyl-pent-4-enoylamino]acetic acid
CID 119197558
2-[[2-(butanoylamino)acetyl]-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid
CID 119197704
2-[(3,5-dimethoxyphenyl)methyl-[3-(1H-indol-5-yl)propanoyl]amino]acetic acid
CID 120518080

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethoxyphenyl)methyl-[2-(2H-indazol-3-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[(3,5-dimethoxyphenyl)methyl-[2-(2H-indazol-3-yl)acetyl]amino]acetic acid (CID 119197747) is 2-[(3,5-dimethoxyphenyl)methyl-[2-(2H-indazol-3-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[(3,5-dimethoxyphenyl)methyl-[2-(2H-indazol-3-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[(3,5-dimethoxyphenyl)methyl-[2-(2H-indazol-3-yl)acetyl]amino]acetic acid is COc1cc(CN(CC(=O)O)C(=O)Cc2[nH]nc3ccccc23)cc(OC)c1.
What is the InChIKey of 2-[(3,5-dimethoxyphenyl)methyl-[2-(2H-indazol-3-yl)acetyl]amino]acetic acid?
The InChIKey is OLMJRDXGDMZHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-27-14-7-13(8-15(9-14)28-2)11-23(12-20(25)26)19(24)10-18-16-5-3-4-6-17(16)21-22-18/h3-9H,10-12H2,1-2H3,(H,21,22)(H,25,26).
What are the key properties of 2-[(3,5-dimethoxyphenyl)methyl-[2-(2H-indazol-3-yl)acetyl]amino]acetic acid?
2-[(3,5-dimethoxyphenyl)methyl-[2-(2H-indazol-3-yl)acetyl]amino]acetic acid has a molecular weight of 383.40 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethoxyphenyl)methyl-[2-(2H-indazol-3-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 119197747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).