3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-(4-methoxyphenyl)propanoic acid

C15H18N2O5 — CID 168695762

IUPAC3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-(4-methoxyphenyl)propanoic acid
SMILESCOc1ccc(C(CC(=O)O)N2CC(C(N)=O)CC2=O)cc1
InChIInChI=1S/C15H18N2O5/c1-22-11-4-2-9(3-5-11)12(7-14(19)20)17-8-10(15(16)21)6-13(17)18/h2-5,10,12H,6-8H2,1H3,(H2,16,21)(H,19,20)
InChIKeyZLYWUYRNQJULAX-UHFFFAOYSA-N
MW306.32 g/mol
LogP0.54
Rot. Bonds6

About 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-(4-methoxyphenyl)propanoic acid

3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-(4-methoxyphenyl)propanoic acid (PubChem CID 168695762) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-(4-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-(4-methoxyphenyl)propanoic acid
PubChem CID168695762
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC Name3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-(4-methoxyphenyl)propanoic acid
SMILESCOc1ccc(C(CC(=O)O)N2CC(C(N)=O)CC2=O)cc1
InChIInChI=1S/C15H18N2O5/c1-22-11-4-2-9(3-5-11)12(7-14(19)20)17-8-10(15(16)21)6-13(17)18/h2-5,10,12H,6-8H2,1H3,(H2,16,21)(H,19,20)
InChIKeyZLYWUYRNQJULAX-UHFFFAOYSA-N
XLogP0.54
TPSA109.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-hydroxy-2-oxopyrrolidin-1-yl)-3-(4-methoxyphenyl)propanoic acid
CID 168701581
3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-3-(4-methoxyphenyl)propanoic acid
CID 168506661
3-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-3-phenylpropanoic acid
CID 168692745
1-(2-carboxy-1-phenylethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168690290
(3R)-3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-4-methoxy-4-oxobutanoic acid
CID 168695754
3-(4-carbamoyl-2-oxopyrrolidin-1-yl)pentanoic acid
CID 168695710
(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704642
3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-4-methylpentanoic acid
CID 168695626
3-(3-methoxyphenyl)-3-(2-oxo-4-sulfamoylpyrrolidin-1-yl)propanoic acid
CID 168716580
methyl (2R)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(4-hydroxyphenyl)acetate
CID 168695756
2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(4-methylphenyl)acetic acid
CID 168695788
3-(4-bromophenyl)-3-(4-chloro-2-oxopyrrolidin-1-yl)propanoic acid
CID 168687035

Frequently Asked Questions

What is the IUPAC name of 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-(4-methoxyphenyl)propanoic acid?
The IUPAC name of 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-(4-methoxyphenyl)propanoic acid (CID 168695762) is 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-(4-methoxyphenyl)propanoic acid.
What is the SMILES notation for 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-(4-methoxyphenyl)propanoic acid?
The canonical SMILES for 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-(4-methoxyphenyl)propanoic acid is COc1ccc(C(CC(=O)O)N2CC(C(N)=O)CC2=O)cc1.
What is the InChIKey of 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-(4-methoxyphenyl)propanoic acid?
The InChIKey is ZLYWUYRNQJULAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5/c1-22-11-4-2-9(3-5-11)12(7-14(19)20)17-8-10(15(16)21)6-13(17)18/h2-5,10,12H,6-8H2,1H3,(H2,16,21)(H,19,20).
What are the key properties of 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-(4-methoxyphenyl)propanoic acid?
3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-(4-methoxyphenyl)propanoic acid has a molecular weight of 306.32 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-(4-methoxyphenyl)propanoic acid is sourced from PubChem (CID 168695762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).