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

C16H18N2O4 — CID 119171465

IUPAC2-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]acetic acid
SMILESCOc1ccc(-n2c(C)cc(C(=O)NCC(=O)O)c2C)cc1
InChIInChI=1S/C16H18N2O4/c1-10-8-14(16(21)17-9-15(19)20)11(2)18(10)12-4-6-13(22-3)7-5-12/h4-8H,9H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyUJANTHSBFPMKKJ-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.92
Rot. Bonds5

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

2-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]acetic acid (PubChem CID 119171465) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]acetic acid
PubChem CID119171465
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name2-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]acetic acid
SMILESCOc1ccc(-n2c(C)cc(C(=O)NCC(=O)O)c2C)cc1
InChIInChI=1S/C16H18N2O4/c1-10-8-14(16(21)17-9-15(19)20)11(2)18(10)12-4-6-13(22-3)7-5-12/h4-8H,9H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyUJANTHSBFPMKKJ-UHFFFAOYSA-N
XLogP1.92
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methoxyphenoxy)ethyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 6736808
4-[[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120541842
1-(4-methoxyphenyl)-2,5-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrrole-3-carboxamide
CID 55961916
2-[ethyl-[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]acetic acid
CID 119206183
4-methoxy-2-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]butanoic acid
CID 120703120
1-(4-methoxyphenyl)-2,5-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]pyrrole-3-carboxamide
CID 35353199
1-(4-methoxyphenyl)-2,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrrole-3-carboxamide
CID 24617865
N-(3-methoxyphenyl)-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 34319459
2-[cyclopropyl-[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]acetic acid
CID 119195068
N-[4-(diethylcarbamoyl)phenyl]-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 24560612
N-(3-methoxypropyl)-2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxamide
CID 7709094
1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-(4-methoxyphenoxy)ethanone
CID 110656356

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]acetic acid (CID 119171465) is 2-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]acetic acid is COc1ccc(-n2c(C)cc(C(=O)NCC(=O)O)c2C)cc1.
What is the InChIKey of 2-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]acetic acid?
The InChIKey is UJANTHSBFPMKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-10-8-14(16(21)17-9-15(19)20)11(2)18(10)12-4-6-13(22-3)7-5-12/h4-8H,9H2,1-3H3,(H,17,21)(H,19,20).
What are the key properties of 2-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]acetic acid?
2-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]acetic acid has a molecular weight of 302.33 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 119171465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).