3-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-3-phenylpropanoic acid

C15H17NO5 — CID 168692745

IUPAC3-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-3-phenylpropanoic acid
SMILESCOC(=O)C1CC(=O)N(C(CC(=O)O)c2ccccc2)C1
InChIInChI=1S/C15H17NO5/c1-21-15(20)11-7-13(17)16(9-11)12(8-14(18)19)10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3,(H,18,19)
InChIKeyXFHHTPVKZOUWHL-UHFFFAOYSA-N
MW291.30 g/mol
LogP1.22
Rot. Bonds5

About 3-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-3-phenylpropanoic acid

3-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-3-phenylpropanoic acid (PubChem CID 168692745) has the molecular formula C15H17NO5 and a molecular weight of 291.30 g/mol. Its IUPAC name is 3-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-3-phenylpropanoic acid
PubChem CID168692745
Molecular FormulaC15H17NO5
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name3-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-3-phenylpropanoic acid
SMILESCOC(=O)C1CC(=O)N(C(CC(=O)O)c2ccccc2)C1
InChIInChI=1S/C15H17NO5/c1-21-15(20)11-7-13(17)16(9-11)12(8-14(18)19)10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3,(H,18,19)
InChIKeyXFHHTPVKZOUWHL-UHFFFAOYSA-N
XLogP1.22
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-carboxy-1-phenylethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168690290
(2R)-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-2-phenylacetic acid
CID 168692814
3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-(4-methoxyphenyl)propanoic acid
CID 168695762
1-[1-(3-bromophenyl)-2-carboxyethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690288
3-(4-hydroxy-2-oxopyrrolidin-1-yl)-3-(4-methoxyphenyl)propanoic acid
CID 168701581
2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)pentanedioic acid
CID 168692750
methyl 1-[1-(3-chlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168692613
methyl 1-[1-(3-bromophenyl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168692611
2-(2-fluorophenyl)-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)acetic acid
CID 168692725
methyl 1-(5-methylhexan-2-yl)-5-oxopyrrolidine-3-carboxylate
CID 168692553
3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-3-(4-methoxyphenyl)propanoic acid
CID 168506661
3-hydroxy-4-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)butanoic acid
CID 168692793

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-3-phenylpropanoic acid?
The IUPAC name of 3-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-3-phenylpropanoic acid (CID 168692745) is 3-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-3-phenylpropanoic acid.
What is the SMILES notation for 3-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-3-phenylpropanoic acid?
The canonical SMILES for 3-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-3-phenylpropanoic acid is COC(=O)C1CC(=O)N(C(CC(=O)O)c2ccccc2)C1.
What is the InChIKey of 3-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-3-phenylpropanoic acid?
The InChIKey is XFHHTPVKZOUWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5/c1-21-15(20)11-7-13(17)16(9-11)12(8-14(18)19)10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3,(H,18,19).
What are the key properties of 3-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-3-phenylpropanoic acid?
3-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-3-phenylpropanoic acid has a molecular weight of 291.30 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-3-phenylpropanoic acid is sourced from PubChem (CID 168692745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).