2-[4-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]oxan-4-yl]acetic acid

C20H26N2O6 — CID 119214831

IUPAC2-[4-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]oxan-4-yl]acetic acid
SMILESCOc1ccc(CN2CC(C(=O)NC3(CC(=O)O)CCOCC3)CC2=O)cc1
InChIInChI=1S/C20H26N2O6/c1-27-16-4-2-14(3-5-16)12-22-13-15(10-17(22)23)19(26)21-20(11-18(24)25)6-8-28-9-7-20/h2-5,15H,6-13H2,1H3,(H,21,26)(H,24,25)
InChIKeyOBFHAVZAZXTDPC-UHFFFAOYSA-N
MW390.44 g/mol
LogP1.18
Rot. Bonds7

About 2-[4-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]oxan-4-yl]acetic acid

2-[4-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]oxan-4-yl]acetic acid (PubChem CID 119214831) has the molecular formula C20H26N2O6 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-[4-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]oxan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]oxan-4-yl]acetic acid
PubChem CID119214831
Molecular FormulaC20H26N2O6
Molecular Weight390.44 g/mol
Exact Mass390.18
IUPAC Name2-[4-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]oxan-4-yl]acetic acid
SMILESCOc1ccc(CN2CC(C(=O)NC3(CC(=O)O)CCOCC3)CC2=O)cc1
InChIInChI=1S/C20H26N2O6/c1-27-16-4-2-14(3-5-16)12-22-13-15(10-17(22)23)19(26)21-20(11-18(24)25)6-8-28-9-7-20/h2-5,15H,6-13H2,1H3,(H,21,26)(H,24,25)
InChIKeyOBFHAVZAZXTDPC-UHFFFAOYSA-N
XLogP1.18
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]oxan-4-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

N-[1-(aminomethyl)cyclopentyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119568459
2-[1-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclobutyl]acetic acid
CID 119217840
N-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46109700
(3R)-1-[(4-methoxyphenyl)methyl]-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 35672749
N-benzyl-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46109695
(3R)-1-[(4-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 92696440
methyl 2-[[(3R)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]acetate
CID 95293242
(3S)-1-[(4-methoxyphenyl)methyl]-N-[(2S)-3-methylbutan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 95280870
N-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4126186
1-benzyl-N-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 18074627
N-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 51064472
(3S)-1-[(4-methoxyphenyl)methyl]-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 93017840

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]oxan-4-yl]acetic acid?
The IUPAC name of 2-[4-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]oxan-4-yl]acetic acid (CID 119214831) is 2-[4-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]oxan-4-yl]acetic acid.
What is the SMILES notation for 2-[4-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]oxan-4-yl]acetic acid?
The canonical SMILES for 2-[4-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]oxan-4-yl]acetic acid is COc1ccc(CN2CC(C(=O)NC3(CC(=O)O)CCOCC3)CC2=O)cc1.
What is the InChIKey of 2-[4-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]oxan-4-yl]acetic acid?
The InChIKey is OBFHAVZAZXTDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O6/c1-27-16-4-2-14(3-5-16)12-22-13-15(10-17(22)23)19(26)21-20(11-18(24)25)6-8-28-9-7-20/h2-5,15H,6-13H2,1H3,(H,21,26)(H,24,25).
What are the key properties of 2-[4-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]oxan-4-yl]acetic acid?
2-[4-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]oxan-4-yl]acetic acid has a molecular weight of 390.44 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]oxan-4-yl]acetic acid is sourced from PubChem (CID 119214831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).