4-[(4-methoxyphenyl)methyl]-3-morpholin-4-yl-1H-pyrrole-2-carboxylic acid

C17H20N2O4 — CID 57234201

IUPAC4-[(4-methoxyphenyl)methyl]-3-morpholin-4-yl-1H-pyrrole-2-carboxylic acid
SMILESCOc1ccc(Cc2c[nH]c(C(=O)O)c2N2CCOCC2)cc1
InChIInChI=1S/C17H20N2O4/c1-22-14-4-2-12(3-5-14)10-13-11-18-15(17(20)21)16(13)19-6-8-23-9-7-19/h2-5,11,18H,6-10H2,1H3,(H,20,21)
InChIKeyXYOATWLHWVVIRY-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.15
Rot. Bonds5

About 4-[(4-methoxyphenyl)methyl]-3-morpholin-4-yl-1H-pyrrole-2-carboxylic acid

4-[(4-methoxyphenyl)methyl]-3-morpholin-4-yl-1H-pyrrole-2-carboxylic acid (PubChem CID 57234201) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methyl]-3-morpholin-4-yl-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methyl]-3-morpholin-4-yl-1H-pyrrole-2-carboxylic acid
PubChem CID57234201
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name4-[(4-methoxyphenyl)methyl]-3-morpholin-4-yl-1H-pyrrole-2-carboxylic acid
SMILESCOc1ccc(Cc2c[nH]c(C(=O)O)c2N2CCOCC2)cc1
InChIInChI=1S/C17H20N2O4/c1-22-14-4-2-12(3-5-14)10-13-11-18-15(17(20)21)16(13)19-6-8-23-9-7-19/h2-5,11,18H,6-10H2,1H3,(H,20,21)
InChIKeyXYOATWLHWVVIRY-UHFFFAOYSA-N
XLogP2.15
TPSA74.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxyphenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate
CID 21479706
2-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]acetamide
CID 16889551
2-(4-methoxyphenyl)acetic acid;oxolane
CID 67598100
methyl 4-(3-methoxyphenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate
CID 110193884
(4-methoxyphenyl)-(4-morpholin-4-ylphenyl)methanone
CID 22731230
3-(4-methoxyphenyl)-2-methyl-2-morpholin-4-ylpropanoic acid
CID 63270699
2-(4-methoxyphenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 90544086
N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide
CID 669628
2-(4-methoxyphenyl)-N-(morpholin-4-ylmethylcarbamoyl)acetamide
CID 134110294
methyl 4-(4-fluorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate
CID 11822850
ethyl 4-[(4-methoxyphenyl)methyl]-2-methyl-1H-pyrrole-3-carboxylate
CID 43826349
(2S)-2-amino-3-(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one
CID 54322087

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methyl]-3-morpholin-4-yl-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-[(4-methoxyphenyl)methyl]-3-morpholin-4-yl-1H-pyrrole-2-carboxylic acid (CID 57234201) is 4-[(4-methoxyphenyl)methyl]-3-morpholin-4-yl-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[(4-methoxyphenyl)methyl]-3-morpholin-4-yl-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-[(4-methoxyphenyl)methyl]-3-morpholin-4-yl-1H-pyrrole-2-carboxylic acid is COc1ccc(Cc2c[nH]c(C(=O)O)c2N2CCOCC2)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methyl]-3-morpholin-4-yl-1H-pyrrole-2-carboxylic acid?
The InChIKey is XYOATWLHWVVIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-22-14-4-2-12(3-5-14)10-13-11-18-15(17(20)21)16(13)19-6-8-23-9-7-19/h2-5,11,18H,6-10H2,1H3,(H,20,21).
What are the key properties of 4-[(4-methoxyphenyl)methyl]-3-morpholin-4-yl-1H-pyrrole-2-carboxylic acid?
4-[(4-methoxyphenyl)methyl]-3-morpholin-4-yl-1H-pyrrole-2-carboxylic acid has a molecular weight of 316.36 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methyl]-3-morpholin-4-yl-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 57234201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).