methyl 2-hydroxy-1-(methoxycarbonylamino)-5-methyl-3,3-diphenyl-2H-pyrrole-4-carboxylate

C21H22N2O5 — CID 11036338

IUPACmethyl 2-hydroxy-1-(methoxycarbonylamino)-5-methyl-3,3-diphenyl-2H-pyrrole-4-carboxylate
SMILESCOC(=O)NN1C(C)=C(C(=O)OC)C(c2ccccc2)(c2ccccc2)C1O
InChIInChI=1S/C21H22N2O5/c1-14-17(18(24)27-2)21(15-10-6-4-7-11-15,16-12-8-5-9-13-16)19(25)23(14)22-20(26)28-3/h4-13,19,25H,1-3H3,(H,22,26)
InChIKeyWHLWHPYJRHBQET-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.32
Rot. Bonds4

About methyl 2-hydroxy-1-(methoxycarbonylamino)-5-methyl-3,3-diphenyl-2H-pyrrole-4-carboxylate

methyl 2-hydroxy-1-(methoxycarbonylamino)-5-methyl-3,3-diphenyl-2H-pyrrole-4-carboxylate (PubChem CID 11036338) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is methyl 2-hydroxy-1-(methoxycarbonylamino)-5-methyl-3,3-diphenyl-2H-pyrrole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-hydroxy-1-(methoxycarbonylamino)-5-methyl-3,3-diphenyl-2H-pyrrole-4-carboxylate
PubChem CID11036338
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Namemethyl 2-hydroxy-1-(methoxycarbonylamino)-5-methyl-3,3-diphenyl-2H-pyrrole-4-carboxylate
SMILESCOC(=O)NN1C(C)=C(C(=O)OC)C(c2ccccc2)(c2ccccc2)C1O
InChIInChI=1S/C21H22N2O5/c1-14-17(18(24)27-2)21(15-10-6-4-7-11-15,16-12-8-5-9-13-16)19(25)23(14)22-20(26)28-3/h4-13,19,25H,1-3H3,(H,22,26)
InChIKeyWHLWHPYJRHBQET-UHFFFAOYSA-N
XLogP2.32
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-1-(methoxycarbonylamino)-5-methyl-3,3-diphenyl-2H-pyrrole-4-carboxylate?
The IUPAC name of methyl 2-hydroxy-1-(methoxycarbonylamino)-5-methyl-3,3-diphenyl-2H-pyrrole-4-carboxylate (CID 11036338) is methyl 2-hydroxy-1-(methoxycarbonylamino)-5-methyl-3,3-diphenyl-2H-pyrrole-4-carboxylate.
What is the SMILES notation for methyl 2-hydroxy-1-(methoxycarbonylamino)-5-methyl-3,3-diphenyl-2H-pyrrole-4-carboxylate?
The canonical SMILES for methyl 2-hydroxy-1-(methoxycarbonylamino)-5-methyl-3,3-diphenyl-2H-pyrrole-4-carboxylate is COC(=O)NN1C(C)=C(C(=O)OC)C(c2ccccc2)(c2ccccc2)C1O.
What is the InChIKey of methyl 2-hydroxy-1-(methoxycarbonylamino)-5-methyl-3,3-diphenyl-2H-pyrrole-4-carboxylate?
The InChIKey is WHLWHPYJRHBQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-14-17(18(24)27-2)21(15-10-6-4-7-11-15,16-12-8-5-9-13-16)19(25)23(14)22-20(26)28-3/h4-13,19,25H,1-3H3,(H,22,26).
What are the key properties of methyl 2-hydroxy-1-(methoxycarbonylamino)-5-methyl-3,3-diphenyl-2H-pyrrole-4-carboxylate?
methyl 2-hydroxy-1-(methoxycarbonylamino)-5-methyl-3,3-diphenyl-2H-pyrrole-4-carboxylate has a molecular weight of 382.42 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-1-(methoxycarbonylamino)-5-methyl-3,3-diphenyl-2H-pyrrole-4-carboxylate is sourced from PubChem (CID 11036338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).