2-[(3R)-1-(4-methoxy-3-phenylmethoxybenzoyl)-2-oxopyrrolidin-3-yl]acetic acid

C21H21NO6 — CID 56628405

IUPAC2-[(3R)-1-(4-methoxy-3-phenylmethoxybenzoyl)-2-oxopyrrolidin-3-yl]acetic acid
SMILESCOc1ccc(C(=O)N2CC[C@H](CC(=O)O)C2=O)cc1OCc1ccccc1
InChIInChI=1S/C21H21NO6/c1-27-17-8-7-15(11-18(17)28-13-14-5-3-2-4-6-14)20(25)22-10-9-16(21(22)26)12-19(23)24/h2-8,11,16H,9-10,12-13H2,1H3,(H,23,24)/t16-/m1/s1
InChIKeyXHTDPOXDCHRCJO-MRXNPFEDSA-N
MW383.40 g/mol
LogP2.74
Rot. Bonds7

About 2-[(3R)-1-(4-methoxy-3-phenylmethoxybenzoyl)-2-oxopyrrolidin-3-yl]acetic acid

2-[(3R)-1-(4-methoxy-3-phenylmethoxybenzoyl)-2-oxopyrrolidin-3-yl]acetic acid (PubChem CID 56628405) has the molecular formula C21H21NO6 and a molecular weight of 383.40 g/mol. Its IUPAC name is 2-[(3R)-1-(4-methoxy-3-phenylmethoxybenzoyl)-2-oxopyrrolidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R)-1-(4-methoxy-3-phenylmethoxybenzoyl)-2-oxopyrrolidin-3-yl]acetic acid
PubChem CID56628405
Molecular FormulaC21H21NO6
Molecular Weight383.40 g/mol
Exact Mass383.14
IUPAC Name2-[(3R)-1-(4-methoxy-3-phenylmethoxybenzoyl)-2-oxopyrrolidin-3-yl]acetic acid
SMILESCOc1ccc(C(=O)N2CC[C@H](CC(=O)O)C2=O)cc1OCc1ccccc1
InChIInChI=1S/C21H21NO6/c1-27-17-8-7-15(11-18(17)28-13-14-5-3-2-4-6-14)20(25)22-10-9-16(21(22)26)12-19(23)24/h2-8,11,16H,9-10,12-13H2,1H3,(H,23,24)/t16-/m1/s1
InChIKeyXHTDPOXDCHRCJO-MRXNPFEDSA-N
XLogP2.74
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[(3R)-1-(4-methoxy-3-phenylmethoxybenzoyl)-2-oxopyrrolidin-3-yl]acetic acid 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

[(3R)-1-(4-methoxy-3-phenylmethoxybenzoyl)-2-oxopyrrolidin-3-yl] 2,2,2-trifluoroacetate
CID 54020066
imidazolidin-1-yl-(4-methoxy-3-phenylmethoxyphenyl)methanone
CID 145479370
4-methoxy-3-phenylmethoxybenzamide
CID 22467475
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone
CID 9295714
[(3S,5S)-3,5-dimethylpiperidin-1-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone
CID 25486073
4-methoxy-N-methyl-3-phenylmethoxybenzamide
CID 138553454
1-(4-methoxy-3-phenylmethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione
CID 141465485
[4-(3-methoxy-4-phenylmethoxybenzoyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 46413267
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone
CID 41292535
2,2,2-trifluoro-1-(4-methoxy-3-phenylmethoxyphenyl)ethanone
CID 83951245
1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-phenylethanone
CID 650859
1-[(3,4-dimethoxyphenyl)methyl]-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazine;oxalic acid
CID 2900377

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-(4-methoxy-3-phenylmethoxybenzoyl)-2-oxopyrrolidin-3-yl]acetic acid?
The IUPAC name of 2-[(3R)-1-(4-methoxy-3-phenylmethoxybenzoyl)-2-oxopyrrolidin-3-yl]acetic acid (CID 56628405) is 2-[(3R)-1-(4-methoxy-3-phenylmethoxybenzoyl)-2-oxopyrrolidin-3-yl]acetic acid.
What is the SMILES notation for 2-[(3R)-1-(4-methoxy-3-phenylmethoxybenzoyl)-2-oxopyrrolidin-3-yl]acetic acid?
The canonical SMILES for 2-[(3R)-1-(4-methoxy-3-phenylmethoxybenzoyl)-2-oxopyrrolidin-3-yl]acetic acid is COc1ccc(C(=O)N2CC[C@H](CC(=O)O)C2=O)cc1OCc1ccccc1.
What is the InChIKey of 2-[(3R)-1-(4-methoxy-3-phenylmethoxybenzoyl)-2-oxopyrrolidin-3-yl]acetic acid?
The InChIKey is XHTDPOXDCHRCJO-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H21NO6/c1-27-17-8-7-15(11-18(17)28-13-14-5-3-2-4-6-14)20(25)22-10-9-16(21(22)26)12-19(23)24/h2-8,11,16H,9-10,12-13H2,1H3,(H,23,24)/t16-/m1/s1.
What are the key properties of 2-[(3R)-1-(4-methoxy-3-phenylmethoxybenzoyl)-2-oxopyrrolidin-3-yl]acetic acid?
2-[(3R)-1-(4-methoxy-3-phenylmethoxybenzoyl)-2-oxopyrrolidin-3-yl]acetic acid has a molecular weight of 383.40 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-(4-methoxy-3-phenylmethoxybenzoyl)-2-oxopyrrolidin-3-yl]acetic acid is sourced from PubChem (CID 56628405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).