2-[3-(2-oxopyrrolidin-1-yl)phenyl]acetic acid

C12H13NO3 — CID 65345581

IUPAC2-[3-(2-oxopyrrolidin-1-yl)phenyl]acetic acid
SMILESO=C(O)Cc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C12H13NO3/c14-11-5-2-6-13(11)10-4-1-3-9(7-10)8-12(15)16/h1,3-4,7H,2,5-6,8H2,(H,15,16)
InChIKeyYWWVWWWUWFEZKC-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.44
Rot. Bonds3

About 2-[3-(2-oxopyrrolidin-1-yl)phenyl]acetic acid

2-[3-(2-oxopyrrolidin-1-yl)phenyl]acetic acid (PubChem CID 65345581) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-[3-(2-oxopyrrolidin-1-yl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(2-oxopyrrolidin-1-yl)phenyl]acetic acid
PubChem CID65345581
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name2-[3-(2-oxopyrrolidin-1-yl)phenyl]acetic acid
SMILESO=C(O)Cc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C12H13NO3/c14-11-5-2-6-13(11)10-4-1-3-9(7-10)8-12(15)16/h1,3-4,7H,2,5-6,8H2,(H,15,16)
InChIKeyYWWVWWWUWFEZKC-UHFFFAOYSA-N
XLogP1.44
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-oxopyrrolidin-1-yl)phenyl]acetic acid?
The IUPAC name of 2-[3-(2-oxopyrrolidin-1-yl)phenyl]acetic acid (CID 65345581) is 2-[3-(2-oxopyrrolidin-1-yl)phenyl]acetic acid.
What is the SMILES notation for 2-[3-(2-oxopyrrolidin-1-yl)phenyl]acetic acid?
The canonical SMILES for 2-[3-(2-oxopyrrolidin-1-yl)phenyl]acetic acid is O=C(O)Cc1cccc(N2CCCC2=O)c1.
What is the InChIKey of 2-[3-(2-oxopyrrolidin-1-yl)phenyl]acetic acid?
The InChIKey is YWWVWWWUWFEZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c14-11-5-2-6-13(11)10-4-1-3-9(7-10)8-12(15)16/h1,3-4,7H,2,5-6,8H2,(H,15,16).
What are the key properties of 2-[3-(2-oxopyrrolidin-1-yl)phenyl]acetic acid?
2-[3-(2-oxopyrrolidin-1-yl)phenyl]acetic acid has a molecular weight of 219.24 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-oxopyrrolidin-1-yl)phenyl]acetic acid is sourced from PubChem (CID 65345581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).