methyl (2R)-2-[[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoate

C22H24N2O5 — CID 42569429

IUPACmethyl (2R)-2-[[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoate
SMILESCOC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CC(=O)N(c2ccccc2OC)C1
InChIInChI=1S/C22H24N2O5/c1-28-19-11-7-6-10-18(19)24-14-16(13-20(24)25)21(26)23-17(22(27)29-2)12-15-8-4-3-5-9-15/h3-11,16-17H,12-14H2,1-2H3,(H,23,26)/t16-,17-/m1/s1
InChIKeyBQSAKVWXMALRSA-IAGOWNOFSA-N
MW396.44 g/mol
LogP1.95
Rot. Bonds7

About methyl (2R)-2-[[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoate

methyl (2R)-2-[[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoate (PubChem CID 42569429) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is methyl (2R)-2-[[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoate
PubChem CID42569429
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Namemethyl (2R)-2-[[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoate
SMILESCOC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CC(=O)N(c2ccccc2OC)C1
InChIInChI=1S/C22H24N2O5/c1-28-19-11-7-6-10-18(19)24-14-16(13-20(24)25)21(26)23-17(22(27)29-2)12-15-8-4-3-5-9-15/h3-11,16-17H,12-14H2,1-2H3,(H,23,26)/t16-,17-/m1/s1
InChIKeyBQSAKVWXMALRSA-IAGOWNOFSA-N
XLogP1.95
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (2R)-2-[[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoate with MolForge

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Related Compounds

methyl 2-[(5-oxo-1-phenylpyrrolidine-3-carbonyl)amino]-3-phenylpropanoate
CID 42650262
(3S)-1-(2-methoxyphenyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 9004996
1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2941796
benzyl (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7545638
N-[2-(4-aminophenyl)ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119549566
methyl 3-(4-hydroxyphenyl)-2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate
CID 108798776
1-(2-methoxyphenyl)-N-(1-naphthalen-1-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 24624530
1-(2-methoxyphenyl)-5-oxo-N-(1-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
CID 78775658
ethyl (3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075916
methyl 2-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-(1H-indol-3-yl)propanoate
CID 56726582
1-(2-methoxyphenyl)-5-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 24624650
(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 94075915

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoate?
The IUPAC name of methyl (2R)-2-[[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoate (CID 42569429) is methyl (2R)-2-[[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoate.
What is the SMILES notation for methyl (2R)-2-[[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoate?
The canonical SMILES for methyl (2R)-2-[[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoate is COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CC(=O)N(c2ccccc2OC)C1.
What is the InChIKey of methyl (2R)-2-[[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoate?
The InChIKey is BQSAKVWXMALRSA-IAGOWNOFSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-28-19-11-7-6-10-18(19)24-14-16(13-20(24)25)21(26)23-17(22(27)29-2)12-15-8-4-3-5-9-15/h3-11,16-17H,12-14H2,1-2H3,(H,23,26)/t16-,17-/m1/s1.
What are the key properties of methyl (2R)-2-[[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoate?
methyl (2R)-2-[[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoate has a molecular weight of 396.44 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoate is sourced from PubChem (CID 42569429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).