3-(4-methoxyphenyl)-3-(5-oxopyrrolidin-2-yl)propanoic acid

C14H17NO4 — CID 23324923

IUPAC3-(4-methoxyphenyl)-3-(5-oxopyrrolidin-2-yl)propanoic acid
SMILESCOc1ccc(C(CC(=O)O)C2CCC(=O)N2)cc1
InChIInChI=1S/C14H17NO4/c1-19-10-4-2-9(3-5-10)11(8-14(17)18)12-6-7-13(16)15-12/h2-5,11-12H,6-8H2,1H3,(H,15,16)(H,17,18)
InChIKeyCTFXJGQSMAVLNO-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.53
Rot. Bonds5

About 3-(4-methoxyphenyl)-3-(5-oxopyrrolidin-2-yl)propanoic acid

3-(4-methoxyphenyl)-3-(5-oxopyrrolidin-2-yl)propanoic acid (PubChem CID 23324923) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-3-(5-oxopyrrolidin-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-3-(5-oxopyrrolidin-2-yl)propanoic acid
PubChem CID23324923
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name3-(4-methoxyphenyl)-3-(5-oxopyrrolidin-2-yl)propanoic acid
SMILESCOc1ccc(C(CC(=O)O)C2CCC(=O)N2)cc1
InChIInChI=1S/C14H17NO4/c1-19-10-4-2-9(3-5-10)11(8-14(17)18)12-6-7-13(16)15-12/h2-5,11-12H,6-8H2,1H3,(H,15,16)(H,17,18)
InChIKeyCTFXJGQSMAVLNO-UHFFFAOYSA-N
XLogP1.53
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methylphenyl)-3-(7-oxoazepan-2-yl)propanoic acid
CID 18800803
3-cyclohexyl-3-(4-methoxyphenyl)propanoic acid
CID 82045590
phenyl 3-(4-methylphenyl)-3-(5-oxopyrrolidin-2-yl)propanoate
CID 54114709
(5S)-5-[(S)-[(1R,2R)-2-hydroxycyclohexyl]-(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 101472092
(3S)-3-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride
CID 24832880
1,5-di(cyclobutyl)-1,5-bis(4-methoxyphenyl)pentan-3-one
CID 73011547
3-amino-3-[4-(4-methoxyphenyl)phenyl]propanoic acid
CID 82366864
2-[3-(4-methoxyphenyl)-3-oxo-1-phenylpropyl]cyclopentan-1-one
CID 12542865
3-(4-hydroxy-2-oxopyrrolidin-1-yl)-3-(4-methoxyphenyl)propanoic acid
CID 168701581
(2R)-2-[(1R)-3-(4-methoxyphenyl)-3-oxo-1-phenylpropyl]cyclohexan-1-one
CID 867578
4,4-difluoro-3-(4-methoxyphenyl)butanoic acid
CID 115037588
5-oxo-N-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 75518874

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-3-(5-oxopyrrolidin-2-yl)propanoic acid?
The IUPAC name of 3-(4-methoxyphenyl)-3-(5-oxopyrrolidin-2-yl)propanoic acid (CID 23324923) is 3-(4-methoxyphenyl)-3-(5-oxopyrrolidin-2-yl)propanoic acid.
What is the SMILES notation for 3-(4-methoxyphenyl)-3-(5-oxopyrrolidin-2-yl)propanoic acid?
The canonical SMILES for 3-(4-methoxyphenyl)-3-(5-oxopyrrolidin-2-yl)propanoic acid is COc1ccc(C(CC(=O)O)C2CCC(=O)N2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-3-(5-oxopyrrolidin-2-yl)propanoic acid?
The InChIKey is CTFXJGQSMAVLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-19-10-4-2-9(3-5-10)11(8-14(17)18)12-6-7-13(16)15-12/h2-5,11-12H,6-8H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 3-(4-methoxyphenyl)-3-(5-oxopyrrolidin-2-yl)propanoic acid?
3-(4-methoxyphenyl)-3-(5-oxopyrrolidin-2-yl)propanoic acid has a molecular weight of 263.29 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-3-(5-oxopyrrolidin-2-yl)propanoic acid is sourced from PubChem (CID 23324923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).