2-[[4-hydroxy-1-[(2-methoxyphenyl)methyl]pyrrolo[2,3-c]pyridine-5-carbonyl]amino]acetic acid;2-[[4-hydroxy-1-[(3-methoxyphenyl)methyl]pyrrolo[2,3-c]pyridine-5-carbonyl]amino]acetic acid

C36H34N6O10 — CID 68859882

IUPAC2-[[4-hydroxy-1-[(2-methoxyphenyl)methyl]pyrrolo[2,3-c]pyridine-5-carbonyl]amino]acetic acid;2-[[4-hydroxy-1-[(3-methoxyphenyl)methyl]pyrrolo[2,3-c]pyridine-5-carbonyl]amino]acetic acid
SMILESCOc1cccc(Cn2ccc3c(O)c(C(=O)NCC(=O)O)ncc32)c1.COc1ccccc1Cn1ccc2c(O)c(C(=O)NCC(=O)O)ncc21
InChIInChI=1S/2C18H17N3O5/c1-26-12-4-2-3-11(7-12)10-21-6-5-13-14(21)8-19-16(17(13)24)18(25)20-9-15(22)23;1-26-14-5-3-2-4-11(14)10-21-7-6-12-13(21)8-19-16(17(12)24)18(25)20-9-15(22)23/h2*2-8,24H,9-10H2,1H3,(H,20,25)(H,22,23)
InChIKeyXZBXSKVBHCXRQM-UHFFFAOYSA-N
MW710.70 g/mol
LogP3.23
Rot. Bonds12

About 2-[[4-hydroxy-1-[(2-methoxyphenyl)methyl]pyrrolo[2,3-c]pyridine-5-carbonyl]amino]acetic acid;2-[[4-hydroxy-1-[(3-methoxyphenyl)methyl]pyrrolo[2,3-c]pyridine-5-carbonyl]amino]acetic acid

2-[[4-hydroxy-1-[(2-methoxyphenyl)methyl]pyrrolo[2,3-c]pyridine-5-carbonyl]amino]acetic acid;2-[[4-hydroxy-1-[(3-methoxyphenyl)methyl]pyrrolo[2,3-c]pyridine-5-carbonyl]amino]acetic acid (PubChem CID 68859882) has the molecular formula C36H34N6O10 and a molecular weight of 710.70 g/mol. Its IUPAC name is 2-[[4-hydroxy-1-[(2-methoxyphenyl)methyl]pyrrolo[2,3-c]pyridine-5-carbonyl]amino]acetic acid;2-[[4-hydroxy-1-[(3-methoxyphenyl)methyl]pyrrolo[2,3-c]pyridine-5-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-hydroxy-1-[(2-methoxyphenyl)methyl]pyrrolo[2,3-c]pyridine-5-carbonyl]amino]acetic acid;2-[[4-hydroxy-1-[(3-methoxyphenyl)methyl]pyrrolo[2,3-c]pyridine-5-carbonyl]amino]acetic acid
PubChem CID68859882
Molecular FormulaC36H34N6O10
Molecular Weight710.70 g/mol
Exact Mass710.23
IUPAC Name2-[[4-hydroxy-1-[(2-methoxyphenyl)methyl]pyrrolo[2,3-c]pyridine-5-carbonyl]amino]acetic acid;2-[[4-hydroxy-1-[(3-methoxyphenyl)methyl]pyrrolo[2,3-c]pyridine-5-carbonyl]amino]acetic acid
SMILESCOc1cccc(Cn2ccc3c(O)c(C(=O)NCC(=O)O)ncc32)c1.COc1ccccc1Cn1ccc2c(O)c(C(=O)NCC(=O)O)ncc21
InChIInChI=1S/2C18H17N3O5/c1-26-12-4-2-3-11(7-12)10-21-6-5-13-14(21)8-19-16(17(13)24)18(25)20-9-15(22)23;1-26-14-5-3-2-4-11(14)10-21-7-6-12-13(21)8-19-16(17(12)24)18(25)20-9-15(22)23/h2*2-8,24H,9-10H2,1H3,(H,20,25)(H,22,23)
InChIKeyXZBXSKVBHCXRQM-UHFFFAOYSA-N
XLogP3.23
TPSA227.36 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500710.70
LogP ≤ 53.23
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Analyze 2-[[4-hydroxy-1-[(2-methoxyphenyl)methyl]pyrrolo[2,3-c]pyridine-5-carbonyl]amino]acetic acid;2-[[4-hydroxy-1-[(3-methoxyphenyl)methyl]pyrrolo[2,3-c]pyridine-5-carbonyl]amino]acetic acid with MolForge

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Related Compounds

N-[2-(3-methoxyphenyl)ethyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109282289
2-(3-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 109257842
2-[[1-benzyl-4-hydroxy-3-[(3-methoxyphenyl)methyl]-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid
CID 24831505
N-[(2-hydroxyphenyl)methyl]-2-(3-methoxyphenyl)acetamide
CID 115598846
2-[[2-[[2-(3-methoxyphenyl)acetyl]amino]acetyl]amino]acetic acid
CID 43387533
2-[1-[(3-methoxyphenyl)methyl]indol-3-yl]acetic acid
CID 43825861
3-[[7-[2-(2,4-dimethoxyphenyl)ethyl]-4-hydroxy-8-oxo-2,7-naphthyridine-3-carbonyl]amino]propanoic acid
CID 174713284
6-[2-(3-methoxyphenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109348949
N-[(2-methoxyphenyl)methyl]-2-[(S)-(3-methoxyphenyl)methylsulfinyl]acetamide
CID 96548241
2-[[2-[[2-(2-methoxyphenyl)acetyl]amino]acetyl]amino]acetic acid
CID 43387619
1-(3-methoxyphenyl)-5-methyl-N-[(2-phenylmethoxyphenyl)methyl]triazole-4-carboxamide
CID 55806463
N-[(3-methoxyphenyl)methyl]-2-naphthalen-1-ylacetamide
CID 2086540

Frequently Asked Questions

What is the IUPAC name of 2-[[4-hydroxy-1-[(2-methoxyphenyl)methyl]pyrrolo[2,3-c]pyridine-5-carbonyl]amino]acetic acid;2-[[4-hydroxy-1-[(3-methoxyphenyl)methyl]pyrrolo[2,3-c]pyridine-5-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[4-hydroxy-1-[(2-methoxyphenyl)methyl]pyrrolo[2,3-c]pyridine-5-carbonyl]amino]acetic acid;2-[[4-hydroxy-1-[(3-methoxyphenyl)methyl]pyrrolo[2,3-c]pyridine-5-carbonyl]amino]acetic acid (CID 68859882) is 2-[[4-hydroxy-1-[(2-methoxyphenyl)methyl]pyrrolo[2,3-c]pyridine-5-carbonyl]amino]acetic acid;2-[[4-hydroxy-1-[(3-methoxyphenyl)methyl]pyrrolo[2,3-c]pyridine-5-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-hydroxy-1-[(2-methoxyphenyl)methyl]pyrrolo[2,3-c]pyridine-5-carbonyl]amino]acetic acid;2-[[4-hydroxy-1-[(3-methoxyphenyl)methyl]pyrrolo[2,3-c]pyridine-5-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[4-hydroxy-1-[(2-methoxyphenyl)methyl]pyrrolo[2,3-c]pyridine-5-carbonyl]amino]acetic acid;2-[[4-hydroxy-1-[(3-methoxyphenyl)methyl]pyrrolo[2,3-c]pyridine-5-carbonyl]amino]acetic acid is COc1cccc(Cn2ccc3c(O)c(C(=O)NCC(=O)O)ncc32)c1.COc1ccccc1Cn1ccc2c(O)c(C(=O)NCC(=O)O)ncc21.
What is the InChIKey of 2-[[4-hydroxy-1-[(2-methoxyphenyl)methyl]pyrrolo[2,3-c]pyridine-5-carbonyl]amino]acetic acid;2-[[4-hydroxy-1-[(3-methoxyphenyl)methyl]pyrrolo[2,3-c]pyridine-5-carbonyl]amino]acetic acid?
The InChIKey is XZBXSKVBHCXRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H17N3O5/c1-26-12-4-2-3-11(7-12)10-21-6-5-13-14(21)8-19-16(17(13)24)18(25)20-9-15(22)23;1-26-14-5-3-2-4-11(14)10-21-7-6-12-13(21)8-19-16(17(12)24)18(25)20-9-15(22)23/h2*2-8,24H,9-10H2,1H3,(H,20,25)(H,22,23).
What are the key properties of 2-[[4-hydroxy-1-[(2-methoxyphenyl)methyl]pyrrolo[2,3-c]pyridine-5-carbonyl]amino]acetic acid;2-[[4-hydroxy-1-[(3-methoxyphenyl)methyl]pyrrolo[2,3-c]pyridine-5-carbonyl]amino]acetic acid?
2-[[4-hydroxy-1-[(2-methoxyphenyl)methyl]pyrrolo[2,3-c]pyridine-5-carbonyl]amino]acetic acid;2-[[4-hydroxy-1-[(3-methoxyphenyl)methyl]pyrrolo[2,3-c]pyridine-5-carbonyl]amino]acetic acid has a molecular weight of 710.70 g/mol, XLogP of 3.23, 12 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-hydroxy-1-[(2-methoxyphenyl)methyl]pyrrolo[2,3-c]pyridine-5-carbonyl]amino]acetic acid;2-[[4-hydroxy-1-[(3-methoxyphenyl)methyl]pyrrolo[2,3-c]pyridine-5-carbonyl]amino]acetic acid is sourced from PubChem (CID 68859882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).