2-[[3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoyl]amino]acetic acid

C20H20N2O5 — CID 69217122

IUPAC2-[[3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoyl]amino]acetic acid
SMILESCOc1ccc(C(CC(=O)NCC(=O)O)N2Cc3ccccc3C2=O)cc1
InChIInChI=1S/C20H20N2O5/c1-27-15-8-6-13(7-9-15)17(10-18(23)21-11-19(24)25)22-12-14-4-2-3-5-16(14)20(22)26/h2-9,17H,10-12H2,1H3,(H,21,23)(H,24,25)
InChIKeyMSINMPKOYFEXLX-UHFFFAOYSA-N
MW368.39 g/mol
LogP1.98
Rot. Bonds7

About 2-[[3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoyl]amino]acetic acid

2-[[3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoyl]amino]acetic acid (PubChem CID 69217122) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-[[3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoyl]amino]acetic acid
PubChem CID69217122
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name2-[[3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoyl]amino]acetic acid
SMILESCOc1ccc(C(CC(=O)NCC(=O)O)N2Cc3ccccc3C2=O)cc1
InChIInChI=1S/C20H20N2O5/c1-27-15-8-6-13(7-9-15)17(10-18(23)21-11-19(24)25)22-12-14-4-2-3-5-16(14)20(22)26/h2-9,17H,10-12H2,1H3,(H,21,23)(H,24,25)
InChIKeyMSINMPKOYFEXLX-UHFFFAOYSA-N
XLogP1.98
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoyl]amino]acetic acid with MolForge

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Related Compounds

3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-3-(3-oxo-1H-isoindol-2-yl)propanamide
CID 46277908
[[3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoyl]amino] acetate
CID 87748558
N-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide
CID 46277875
(3S)-3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 92690878
N-(3-methoxyphenyl)-3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide
CID 46277871
3-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide
CID 46277936
methyl 4-[[3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoyl]amino]benzoate
CID 46277925
(3S)-N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide
CID 92690856
N-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide
CID 46277902
(3S)-3-(4-methoxyphenyl)-N-(4-nitrophenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide
CID 92706304
2-[1-(4-methoxyphenyl)-3-oxo-3-piperidin-1-ylpropyl]-3H-isoindol-1-one
CID 46277897
(3R)-N-(2,5-dichlorophenyl)-3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide
CID 92706311

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoyl]amino]acetic acid?
The IUPAC name of 2-[[3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoyl]amino]acetic acid (CID 69217122) is 2-[[3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoyl]amino]acetic acid?
The canonical SMILES for 2-[[3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoyl]amino]acetic acid is COc1ccc(C(CC(=O)NCC(=O)O)N2Cc3ccccc3C2=O)cc1.
What is the InChIKey of 2-[[3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoyl]amino]acetic acid?
The InChIKey is MSINMPKOYFEXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-27-15-8-6-13(7-9-15)17(10-18(23)21-11-19(24)25)22-12-14-4-2-3-5-16(14)20(22)26/h2-9,17H,10-12H2,1H3,(H,21,23)(H,24,25).
What are the key properties of 2-[[3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoyl]amino]acetic acid?
2-[[3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoyl]amino]acetic acid has a molecular weight of 368.39 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoyl]amino]acetic acid is sourced from PubChem (CID 69217122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).