methyl (2R)-2-[(4-benzylfuro[3,2-b]pyrrole-5-carbonyl)amino]-3-methylbutanoate

C20H22N2O4 — CID 51974065

IUPACmethyl (2R)-2-[(4-benzylfuro[3,2-b]pyrrole-5-carbonyl)amino]-3-methylbutanoate
SMILESCOC(=O)[C@H](NC(=O)c1cc2occc2n1Cc1ccccc1)C(C)C
InChIInChI=1S/C20H22N2O4/c1-13(2)18(20(24)25-3)21-19(23)16-11-17-15(9-10-26-17)22(16)12-14-7-5-4-6-8-14/h4-11,13,18H,12H2,1-3H3,(H,21,23)/t18-/m1/s1
InChIKeyRUOXYPSMWJCWOY-GOSISDBHSA-N
MW354.41 g/mol
LogP3.21
Rot. Bonds6

About methyl (2R)-2-[(4-benzylfuro[3,2-b]pyrrole-5-carbonyl)amino]-3-methylbutanoate

methyl (2R)-2-[(4-benzylfuro[3,2-b]pyrrole-5-carbonyl)amino]-3-methylbutanoate (PubChem CID 51974065) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is methyl (2R)-2-[(4-benzylfuro[3,2-b]pyrrole-5-carbonyl)amino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(4-benzylfuro[3,2-b]pyrrole-5-carbonyl)amino]-3-methylbutanoate
PubChem CID51974065
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Namemethyl (2R)-2-[(4-benzylfuro[3,2-b]pyrrole-5-carbonyl)amino]-3-methylbutanoate
SMILESCOC(=O)[C@H](NC(=O)c1cc2occc2n1Cc1ccccc1)C(C)C
InChIInChI=1S/C20H22N2O4/c1-13(2)18(20(24)25-3)21-19(23)16-11-17-15(9-10-26-17)22(16)12-14-7-5-4-6-8-14/h4-11,13,18H,12H2,1-3H3,(H,21,23)/t18-/m1/s1
InChIKeyRUOXYPSMWJCWOY-GOSISDBHSA-N
XLogP3.21
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (2R)-2-[(4-benzylfuro[3,2-b]pyrrole-5-carbonyl)amino]-3-methylbutanoate 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 2-[[4-[(4-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate
CID 75769582
methyl 2-[(4-benzylthieno[3,2-b]pyrrole-5-carbonyl)amino]-3-methylbutanoate
CID 51052868
methyl (2R)-2-[[4-[(2-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate
CID 51718452
methyl (2S)-2-[[4-[(2-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate
CID 51718453
4-[(3,4-difluorophenyl)methyl]-N-(4-phenylbutan-2-yl)furo[3,2-b]pyrrole-5-carboxamide
CID 42790915
4-benzyl-N-(3-hydroxypropyl)furo[3,2-b]pyrrole-5-carboxamide
CID 45496120
methyl 2-[(1-ethylindole-2-carbonyl)amino]-3-methylbutanoate
CID 86845751
N-butan-2-yl-4-[(2-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carboxamide
CID 75768838
methyl (2S)-3-methyl-2-[(1-pentylindole-2-carbonyl)amino]butanoate
CID 155540156
4-benzyl-N-(3-morpholin-4-ylpropyl)furo[3,2-b]pyrrole-5-carboxamide
CID 45494460
4-[(2,6-difluorophenyl)methyl]-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42790861
4-[(3,5-dimethoxyphenyl)methyl]-N-propylfuro[3,2-b]pyrrole-5-carboxamide
CID 42792536

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(4-benzylfuro[3,2-b]pyrrole-5-carbonyl)amino]-3-methylbutanoate?
The IUPAC name of methyl (2R)-2-[(4-benzylfuro[3,2-b]pyrrole-5-carbonyl)amino]-3-methylbutanoate (CID 51974065) is methyl (2R)-2-[(4-benzylfuro[3,2-b]pyrrole-5-carbonyl)amino]-3-methylbutanoate.
What is the SMILES notation for methyl (2R)-2-[(4-benzylfuro[3,2-b]pyrrole-5-carbonyl)amino]-3-methylbutanoate?
The canonical SMILES for methyl (2R)-2-[(4-benzylfuro[3,2-b]pyrrole-5-carbonyl)amino]-3-methylbutanoate is COC(=O)[C@H](NC(=O)c1cc2occc2n1Cc1ccccc1)C(C)C.
What is the InChIKey of methyl (2R)-2-[(4-benzylfuro[3,2-b]pyrrole-5-carbonyl)amino]-3-methylbutanoate?
The InChIKey is RUOXYPSMWJCWOY-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-13(2)18(20(24)25-3)21-19(23)16-11-17-15(9-10-26-17)22(16)12-14-7-5-4-6-8-14/h4-11,13,18H,12H2,1-3H3,(H,21,23)/t18-/m1/s1.
What are the key properties of methyl (2R)-2-[(4-benzylfuro[3,2-b]pyrrole-5-carbonyl)amino]-3-methylbutanoate?
methyl (2R)-2-[(4-benzylfuro[3,2-b]pyrrole-5-carbonyl)amino]-3-methylbutanoate has a molecular weight of 354.41 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(4-benzylfuro[3,2-b]pyrrole-5-carbonyl)amino]-3-methylbutanoate is sourced from PubChem (CID 51974065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).