ethyl 1-amino-4-methyl-3-phenylpyrrole-2-carboxylate

C14H16N2O2 — CID 121004582

IUPACethyl 1-amino-4-methyl-3-phenylpyrrole-2-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)c(C)cn1N
InChIInChI=1S/C14H16N2O2/c1-3-18-14(17)13-12(10(2)9-16(13)15)11-7-5-4-6-8-11/h4-9H,3,15H2,1-2H3
InChIKeyTYXXMQPXCKNASS-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.35
Rot. Bonds3

About ethyl 1-amino-4-methyl-3-phenylpyrrole-2-carboxylate

ethyl 1-amino-4-methyl-3-phenylpyrrole-2-carboxylate (PubChem CID 121004582) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is ethyl 1-amino-4-methyl-3-phenylpyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-amino-4-methyl-3-phenylpyrrole-2-carboxylate
PubChem CID121004582
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Nameethyl 1-amino-4-methyl-3-phenylpyrrole-2-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)c(C)cn1N
InChIInChI=1S/C14H16N2O2/c1-3-18-14(17)13-12(10(2)9-16(13)15)11-7-5-4-6-8-11/h4-9H,3,15H2,1-2H3
InChIKeyTYXXMQPXCKNASS-UHFFFAOYSA-N
XLogP2.35
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 1-amino-4-methyl-3-phenylpyrrole-2-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

ethyl 1-benzyl-3,4-diphenylpyrrole-2-carboxylate
CID 10915918
diethyl 1,5-dimethyl-3-phenylpyrrole-2,4-dicarboxylate
CID 66570713
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
diethyl 1-benzyl-5-methyl-3-phenylpyrrole-2,4-dicarboxylate
CID 67238833
ethyl 2,5-dimethyl-3,4-diphenylbenzoate
CID 102473305
bicyclo[3.1.0]hexa-1(6),2,4-triene;ethyl benzoate
CID 67172925
CID 158970570
CID 158970570
diethyl 3,4-dihydroxy-1-phenylpyrrole-2,5-dicarboxylate
CID 2801528
ethyl 1-methyl-2,4-diphenylpyrrole-3-carboxylate
CID 10852115
2-O-(3-chloropropyl) 4-O-ethyl 1-ethyl-5-methyl-3-phenylpyrrole-2,4-dicarboxylate
CID 66914809
ethyl 3-benzoyl-1-nitroso-4-phenylpyrazole-5-carboxylate
CID 12516796
ethyl 4,6-diphenyl-1,3,5-triazine-2-carboxylate
CID 555559

Frequently Asked Questions

What is the IUPAC name of ethyl 1-amino-4-methyl-3-phenylpyrrole-2-carboxylate?
The IUPAC name of ethyl 1-amino-4-methyl-3-phenylpyrrole-2-carboxylate (CID 121004582) is ethyl 1-amino-4-methyl-3-phenylpyrrole-2-carboxylate.
What is the SMILES notation for ethyl 1-amino-4-methyl-3-phenylpyrrole-2-carboxylate?
The canonical SMILES for ethyl 1-amino-4-methyl-3-phenylpyrrole-2-carboxylate is CCOC(=O)c1c(-c2ccccc2)c(C)cn1N.
What is the InChIKey of ethyl 1-amino-4-methyl-3-phenylpyrrole-2-carboxylate?
The InChIKey is TYXXMQPXCKNASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-3-18-14(17)13-12(10(2)9-16(13)15)11-7-5-4-6-8-11/h4-9H,3,15H2,1-2H3.
What are the key properties of ethyl 1-amino-4-methyl-3-phenylpyrrole-2-carboxylate?
ethyl 1-amino-4-methyl-3-phenylpyrrole-2-carboxylate has a molecular weight of 244.29 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-amino-4-methyl-3-phenylpyrrole-2-carboxylate is sourced from PubChem (CID 121004582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).