2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetic acid

C13H14N2O4 — CID 4962839

IUPAC2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C13H14N2O4/c16-11-2-1-7-15(11)10-5-3-9(4-6-10)13(19)14-8-12(17)18/h3-6H,1-2,7-8H2,(H,14,19)(H,17,18)
InChIKeyHBZGBAJPFYGVRN-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.63
Rot. Bonds4

About 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetic acid

2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetic acid (PubChem CID 4962839) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetic acid
PubChem CID4962839
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C13H14N2O4/c16-11-2-1-7-15(11)10-5-3-9(4-6-10)13(19)14-8-12(17)18/h3-6H,1-2,7-8H2,(H,14,19)(H,17,18)
InChIKeyHBZGBAJPFYGVRN-UHFFFAOYSA-N
XLogP0.63
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetic acid?
The IUPAC name of 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetic acid (CID 4962839) is 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetic acid is O=C(O)CNC(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetic acid?
The InChIKey is HBZGBAJPFYGVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c16-11-2-1-7-15(11)10-5-3-9(4-6-10)13(19)14-8-12(17)18/h3-6H,1-2,7-8H2,(H,14,19)(H,17,18).
What are the key properties of 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetic acid?
2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetic acid has a molecular weight of 262.26 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetic acid is sourced from PubChem (CID 4962839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).