4-methoxy-2-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]butanoic acid

C19H24N2O5 — CID 120703120

IUPAC4-methoxy-2-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]butanoic acid
SMILESCOCCC(NC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C)C(=O)O
InChIInChI=1S/C19H24N2O5/c1-12-11-16(18(22)20-17(19(23)24)9-10-25-3)13(2)21(12)14-5-7-15(26-4)8-6-14/h5-8,11,17H,9-10H2,1-4H3,(H,20,22)(H,23,24)
InChIKeyMSXZVEHUDLHDQI-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.32
Rot. Bonds8

About 4-methoxy-2-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]butanoic acid

4-methoxy-2-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]butanoic acid (PubChem CID 120703120) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is 4-methoxy-2-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name4-methoxy-2-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]butanoic acid
PubChem CID120703120
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Name4-methoxy-2-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]butanoic acid
SMILESCOCCC(NC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C)C(=O)O
InChIInChI=1S/C19H24N2O5/c1-12-11-16(18(22)20-17(19(23)24)9-10-25-3)13(2)21(12)14-5-7-15(26-4)8-6-14/h5-8,11,17H,9-10H2,1-4H3,(H,20,22)(H,23,24)
InChIKeyMSXZVEHUDLHDQI-UHFFFAOYSA-N
XLogP2.32
TPSA89.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

2-[[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]amino]-4-methoxybutanoic acid
CID 120702759
4-methoxy-2-[(4-methoxy-2-methylbenzoyl)amino]butanoic acid
CID 120703108
2-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]acetic acid
CID 119171465
2-[(2,4-dimethoxybenzoyl)amino]-4-methoxybutanoic acid
CID 62480344
2-[(2-amino-4-methoxybenzoyl)amino]-4-methoxybutanoic acid
CID 115413154
4-methoxy-2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]butanoic acid
CID 62479128
2-[(2-hydroxy-5-methylbenzoyl)amino]-4-methoxybutanoic acid
CID 55075944
N-(3-methoxyphenyl)-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 34319459
2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 120533637
2-[(2-hydroxy-4-methoxybenzoyl)amino]-5-methoxypentanoic acid
CID 81085345
4-[[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120541842
5-methoxy-2-[(4-methoxybenzoyl)amino]pentanoic acid
CID 81077484

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]butanoic acid?
The IUPAC name of 4-methoxy-2-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]butanoic acid (CID 120703120) is 4-methoxy-2-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]butanoic acid.
What is the SMILES notation for 4-methoxy-2-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]butanoic acid?
The canonical SMILES for 4-methoxy-2-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]butanoic acid is COCCC(NC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C)C(=O)O.
What is the InChIKey of 4-methoxy-2-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]butanoic acid?
The InChIKey is MSXZVEHUDLHDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-12-11-16(18(22)20-17(19(23)24)9-10-25-3)13(2)21(12)14-5-7-15(26-4)8-6-14/h5-8,11,17H,9-10H2,1-4H3,(H,20,22)(H,23,24).
What are the key properties of 4-methoxy-2-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]butanoic acid?
4-methoxy-2-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]butanoic acid has a molecular weight of 360.41 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]butanoic acid is sourced from PubChem (CID 120703120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).