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

C18H22N2O4 — CID 119206183

IUPAC2-[ethyl-[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C
InChIInChI=1S/C18H22N2O4/c1-5-19(11-17(21)22)18(23)16-10-12(2)20(13(16)3)14-6-8-15(24-4)9-7-14/h6-10H,5,11H2,1-4H3,(H,21,22)
InChIKeyCLOPTHGWGDPCQA-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.65
Rot. Bonds6

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

2-[ethyl-[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]acetic acid (PubChem CID 119206183) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-[ethyl-[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]acetic acid
PubChem CID119206183
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name2-[ethyl-[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C
InChIInChI=1S/C18H22N2O4/c1-5-19(11-17(21)22)18(23)16-10-12(2)20(13(16)3)14-6-8-15(24-4)9-7-14/h6-10H,5,11H2,1-4H3,(H,21,22)
InChIKeyCLOPTHGWGDPCQA-UHFFFAOYSA-N
XLogP2.65
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[cyclopropyl-[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]acetic acid
CID 119195068
2-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]acetic acid
CID 119171465
N-(1-aminopropan-2-yl)-1-(4-methoxyphenyl)-N,2,5-trimethylpyrrole-3-carboxamide
CID 119583971
N-[4-(diethylcarbamoyl)phenyl]-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 24560612
N-(3-amino-2,2-dimethylpropyl)-1-(4-methoxyphenyl)-N,2,5-trimethylpyrrole-3-carboxamide
CID 119655571
methyl 2-[[1-(4-bromophenyl)-2,5-dimethylpyrrole-3-carbonyl]-(2-methoxy-2-oxoethyl)amino]acetate
CID 56580724
N,N-diethyl-2-[4-[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]-1,4-diazepan-1-yl]acetamide
CID 78863289
N-ethyl-N-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
CID 78861355
1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-(4-methoxyphenoxy)ethanone
CID 110656356
2-[(2S)-4-[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]morpholin-2-yl]acetic acid
CID 125132212
N-[2-(4-methoxyphenoxy)ethyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 6736808
2-[ethyl-[(4-methoxyphenyl)-methylcarbamoyl]amino]acetic acid
CID 62002689

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]acetic acid (CID 119206183) is 2-[ethyl-[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]acetic acid is CCN(CC(=O)O)C(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C.
What is the InChIKey of 2-[ethyl-[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]acetic acid?
The InChIKey is CLOPTHGWGDPCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-5-19(11-17(21)22)18(23)16-10-12(2)20(13(16)3)14-6-8-15(24-4)9-7-14/h6-10H,5,11H2,1-4H3,(H,21,22).
What are the key properties of 2-[ethyl-[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]acetic acid?
2-[ethyl-[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]acetic acid has a molecular weight of 330.38 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 119206183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).