methyl 1-[(R)-amino(phenyl)methyl]-2-methyl-4-(4-methylphenyl)pyrrole-3-carboxylate

C21H22N2O2 — CID 102488432

IUPACmethyl 1-[(R)-amino(phenyl)methyl]-2-methyl-4-(4-methylphenyl)pyrrole-3-carboxylate
SMILESCOC(=O)c1c(-c2ccc(C)cc2)cn([C@@H](N)c2ccccc2)c1C
InChIInChI=1S/C21H22N2O2/c1-14-9-11-16(12-10-14)18-13-23(15(2)19(18)21(24)25-3)20(22)17-7-5-4-6-8-17/h4-13,20H,22H2,1-3H3/t20-/m1/s1
InChIKeyQETTVHQWQHSISD-HXUWFJFHSA-N
MW334.42 g/mol
LogP4.06
Rot. Bonds4

About methyl 1-[(R)-amino(phenyl)methyl]-2-methyl-4-(4-methylphenyl)pyrrole-3-carboxylate

methyl 1-[(R)-amino(phenyl)methyl]-2-methyl-4-(4-methylphenyl)pyrrole-3-carboxylate (PubChem CID 102488432) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is methyl 1-[(R)-amino(phenyl)methyl]-2-methyl-4-(4-methylphenyl)pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(R)-amino(phenyl)methyl]-2-methyl-4-(4-methylphenyl)pyrrole-3-carboxylate
PubChem CID102488432
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Namemethyl 1-[(R)-amino(phenyl)methyl]-2-methyl-4-(4-methylphenyl)pyrrole-3-carboxylate
SMILESCOC(=O)c1c(-c2ccc(C)cc2)cn([C@@H](N)c2ccccc2)c1C
InChIInChI=1S/C21H22N2O2/c1-14-9-11-16(12-10-14)18-13-23(15(2)19(18)21(24)25-3)20(22)17-7-5-4-6-8-17/h4-13,20H,22H2,1-3H3/t20-/m1/s1
InChIKeyQETTVHQWQHSISD-HXUWFJFHSA-N
XLogP4.06
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 1-[(R)-amino(phenyl)methyl]-2-methyl-4-(4-methylphenyl)pyrrole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-benzyl-4-(4-cyanophenyl)-2-methylpyrrole-3-carboxylate
CID 45139279
methyl 2-(4-methylphenyl)-6-sulfanylbenzoate
CID 102144462
methyl 1-benzyl-4-(4-methylphenyl)-2-oxopyridine-3-carboxylate
CID 57399106
methyl (2R)-2-(4-methylphenyl)-2-phenylacetate
CID 54311643
methyl 1-(2,5-dimethylphenyl)-4-phenyl-2-(trifluoromethyl)pyrrole-3-carboxylate
CID 132578140
methyl 2,6-dimethyl-3-phenylbenzoate
CID 13216678
[(4-methylphenyl)-phenylmethyl] 2,3,4,5,6-pentafluorobenzoate
CID 71619878
methyl 2-[[2-(4-benzhydrylpiperazin-1-yl)acetyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate
CID 22198293
methanol;methyl 4-methylbenzoate;toluene
CID 142226695
methyl 1-amino-3-phenylpyrrole-2-carboxylate
CID 90386150
tetramethyl 1-(1-phenylethyl)pyrrole-2,3,4,5-tetracarboxylate
CID 102592899
methyl 2-methyl-4-phenylthiophene-3-carboxylate
CID 162514563

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(R)-amino(phenyl)methyl]-2-methyl-4-(4-methylphenyl)pyrrole-3-carboxylate?
The IUPAC name of methyl 1-[(R)-amino(phenyl)methyl]-2-methyl-4-(4-methylphenyl)pyrrole-3-carboxylate (CID 102488432) is methyl 1-[(R)-amino(phenyl)methyl]-2-methyl-4-(4-methylphenyl)pyrrole-3-carboxylate.
What is the SMILES notation for methyl 1-[(R)-amino(phenyl)methyl]-2-methyl-4-(4-methylphenyl)pyrrole-3-carboxylate?
The canonical SMILES for methyl 1-[(R)-amino(phenyl)methyl]-2-methyl-4-(4-methylphenyl)pyrrole-3-carboxylate is COC(=O)c1c(-c2ccc(C)cc2)cn([C@@H](N)c2ccccc2)c1C.
What is the InChIKey of methyl 1-[(R)-amino(phenyl)methyl]-2-methyl-4-(4-methylphenyl)pyrrole-3-carboxylate?
The InChIKey is QETTVHQWQHSISD-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-14-9-11-16(12-10-14)18-13-23(15(2)19(18)21(24)25-3)20(22)17-7-5-4-6-8-17/h4-13,20H,22H2,1-3H3/t20-/m1/s1.
What are the key properties of methyl 1-[(R)-amino(phenyl)methyl]-2-methyl-4-(4-methylphenyl)pyrrole-3-carboxylate?
methyl 1-[(R)-amino(phenyl)methyl]-2-methyl-4-(4-methylphenyl)pyrrole-3-carboxylate has a molecular weight of 334.42 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(R)-amino(phenyl)methyl]-2-methyl-4-(4-methylphenyl)pyrrole-3-carboxylate is sourced from PubChem (CID 102488432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).