1-[2-(3-oxo-1H-isoindol-2-yl)acetyl]pyrrolidine-3-carboxylic acid

C15H16N2O4 — CID 119355060

IUPAC1-[2-(3-oxo-1H-isoindol-2-yl)acetyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)CN2Cc3ccccc3C2=O)C1
InChIInChI=1S/C15H16N2O4/c18-13(16-6-5-11(8-16)15(20)21)9-17-7-10-3-1-2-4-12(10)14(17)19/h1-4,11H,5-9H2,(H,20,21)
InChIKeyNLOBYLLJJYRGKN-UHFFFAOYSA-N
MW288.30 g/mol
LogP0.58
Rot. Bonds3

About 1-[2-(3-oxo-1H-isoindol-2-yl)acetyl]pyrrolidine-3-carboxylic acid

1-[2-(3-oxo-1H-isoindol-2-yl)acetyl]pyrrolidine-3-carboxylic acid (PubChem CID 119355060) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 1-[2-(3-oxo-1H-isoindol-2-yl)acetyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3-oxo-1H-isoindol-2-yl)acetyl]pyrrolidine-3-carboxylic acid
PubChem CID119355060
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name1-[2-(3-oxo-1H-isoindol-2-yl)acetyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)CN2Cc3ccccc3C2=O)C1
InChIInChI=1S/C15H16N2O4/c18-13(16-6-5-11(8-16)15(20)21)9-17-7-10-3-1-2-4-12(10)14(17)19/h1-4,11H,5-9H2,(H,20,21)
InChIKeyNLOBYLLJJYRGKN-UHFFFAOYSA-N
XLogP0.58
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,3-dihydroindol-1-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 119353686
3-methyl-1-[2-(3-oxo-1H-isoindol-2-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 119257393
2-[2-(azepan-1-yl)-2-oxoethyl]-3,4-dihydroisoquinolin-1-one
CID 104501276
(3S)-1-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]piperidine-3-carboxylic acid
CID 119136464
2-[cyclopropyl-[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]acetic acid
CID 119195409
(3S)-1-[3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoyl]pyrrolidine-3-carboxylic acid
CID 124703211
1-[2-[2-(aminomethyl)phenyl]acetyl]pyrrolidine-3-carboxylic acid
CID 81322694
1-[2-(2-phenylethylsulfanyl)acetyl]pyrrolidine-3-carboxylic acid
CID 63031975
1-[2-(2-iodophenyl)acetyl]pyrrolidine-3-carboxylic acid
CID 120533907
(3R)-1-[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 125134556
(3S)-1-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]piperidine-3-carboxylic acid
CID 99639011
N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-methyl-2-(3-oxo-1H-isoindol-2-yl)acetamide
CID 129490807

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-oxo-1H-isoindol-2-yl)acetyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(3-oxo-1H-isoindol-2-yl)acetyl]pyrrolidine-3-carboxylic acid (CID 119355060) is 1-[2-(3-oxo-1H-isoindol-2-yl)acetyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(3-oxo-1H-isoindol-2-yl)acetyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(3-oxo-1H-isoindol-2-yl)acetyl]pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(C(=O)CN2Cc3ccccc3C2=O)C1.
What is the InChIKey of 1-[2-(3-oxo-1H-isoindol-2-yl)acetyl]pyrrolidine-3-carboxylic acid?
The InChIKey is NLOBYLLJJYRGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c18-13(16-6-5-11(8-16)15(20)21)9-17-7-10-3-1-2-4-12(10)14(17)19/h1-4,11H,5-9H2,(H,20,21).
What are the key properties of 1-[2-(3-oxo-1H-isoindol-2-yl)acetyl]pyrrolidine-3-carboxylic acid?
1-[2-(3-oxo-1H-isoindol-2-yl)acetyl]pyrrolidine-3-carboxylic acid has a molecular weight of 288.30 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-oxo-1H-isoindol-2-yl)acetyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119355060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).