ethyl 4-amino-5-(4-hydroxy-3-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylate

C15H18N2O4 — CID 28805835

IUPACethyl 4-amino-5-(4-hydroxy-3-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(-c2ccc(O)c(OC)c2)c1N
InChIInChI=1S/C15H18N2O4/c1-4-21-15(19)12-8(2)17-14(13(12)16)9-5-6-10(18)11(7-9)20-3/h5-7,17-18H,4,16H2,1-3H3
InChIKeyCBDXNGUKVCXBFA-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.46
Rot. Bonds4

About ethyl 4-amino-5-(4-hydroxy-3-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylate

ethyl 4-amino-5-(4-hydroxy-3-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylate (PubChem CID 28805835) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is ethyl 4-amino-5-(4-hydroxy-3-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-5-(4-hydroxy-3-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylate
PubChem CID28805835
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Nameethyl 4-amino-5-(4-hydroxy-3-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(-c2ccc(O)c(OC)c2)c1N
InChIInChI=1S/C15H18N2O4/c1-4-21-15(19)12-8(2)17-14(13(12)16)9-5-6-10(18)11(7-9)20-3/h5-7,17-18H,4,16H2,1-3H3
InChIKeyCBDXNGUKVCXBFA-UHFFFAOYSA-N
XLogP2.46
TPSA97.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

diethyl 4-(3-hydroxy-4-methoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 11291749
diethyl 4-(3-ethoxy-4-hydroxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 135662922
ethyl 4-(3,4-dimethoxyphenyl)-2,6-dimethylbenzoate
CID 14570140
ethanol;ethyl 4-hydroxy-3-methoxybenzoate;4-hydroxy-3-methoxybenzoic acid
CID 162180996
ethyl 2-(4-hydroxy-3-methoxyphenyl)-8,9-dimethoxy-3-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate
CID 20823092
ethyl 2-(3,4-dimethoxyphenyl)-4-[(dimethylamino)methyl]-5-hydroxy-1-benzofuran-3-carboxylate;hydrochloride
CID 24834988
ethyl 4-acetyl-5-methyl-2-phenyl-1H-pyrrole-3-carboxylate
CID 86237031
ethyl 4-(3-hydroxy-4-methoxyphenyl)benzoate
CID 53221031
ethyl 2-hydroxy-4-(3,4,5-trimethoxyphenyl)benzoate
CID 51042654
ethyl 5-[2-(tert-butylamino)-2-oxoacetyl]-4-(3,4-dimethoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylate
CID 7616728
ethyl 4-[(E)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 7481295
ethyl 2-(4-hydroxy-3-methoxyphenyl)-4-oxopyrrolo[2,1-c][1,4]benzoxazine-3-carboxylate
CID 155546675

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-5-(4-hydroxy-3-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 4-amino-5-(4-hydroxy-3-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylate (CID 28805835) is ethyl 4-amino-5-(4-hydroxy-3-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 4-amino-5-(4-hydroxy-3-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 4-amino-5-(4-hydroxy-3-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylate is CCOC(=O)c1c(C)[nH]c(-c2ccc(O)c(OC)c2)c1N.
What is the InChIKey of ethyl 4-amino-5-(4-hydroxy-3-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylate?
The InChIKey is CBDXNGUKVCXBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-4-21-15(19)12-8(2)17-14(13(12)16)9-5-6-10(18)11(7-9)20-3/h5-7,17-18H,4,16H2,1-3H3.
What are the key properties of ethyl 4-amino-5-(4-hydroxy-3-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylate?
ethyl 4-amino-5-(4-hydroxy-3-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylate has a molecular weight of 290.32 g/mol, XLogP of 2.46, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-5-(4-hydroxy-3-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 28805835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).