(3R)-1-naphthalen-1-yl-2-oxopyrrolidine-3-carboxylic acid

C15H13NO3 — CID 40623391

IUPAC(3R)-1-naphthalen-1-yl-2-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCN(c2cccc3ccccc23)C1=O
InChIInChI=1S/C15H13NO3/c17-14-12(15(18)19)8-9-16(14)13-7-3-5-10-4-1-2-6-11(10)13/h1-7,12H,8-9H2,(H,18,19)/t12-/m1/s1
InChIKeyBGTUAVMAHNEDLD-GFCCVEGCSA-N
MW255.27 g/mol
LogP2.28
Rot. Bonds2

About (3R)-1-naphthalen-1-yl-2-oxopyrrolidine-3-carboxylic acid

(3R)-1-naphthalen-1-yl-2-oxopyrrolidine-3-carboxylic acid (PubChem CID 40623391) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is (3R)-1-naphthalen-1-yl-2-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-naphthalen-1-yl-2-oxopyrrolidine-3-carboxylic acid
PubChem CID40623391
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name(3R)-1-naphthalen-1-yl-2-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCN(c2cccc3ccccc23)C1=O
InChIInChI=1S/C15H13NO3/c17-14-12(15(18)19)8-9-16(14)13-7-3-5-10-4-1-2-6-11(10)13/h1-7,12H,8-9H2,(H,18,19)/t12-/m1/s1
InChIKeyBGTUAVMAHNEDLD-GFCCVEGCSA-N
XLogP2.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-oxo-1-(2-phenylphenyl)pyrrolidine-3-carboxylic acid
CID 24688652
1-naphthalen-2-yl-2-oxopyrrolidine-3-carboxylic acid
CID 42853495
(2S)-3-hydroxy-1-naphthalen-1-ylpyrrolidine-2-carboxylic acid
CID 67245808
1-(3-carboxyphenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 82367415
1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 4122939
(3R)-2-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxylic acid
CID 42257007
1-naphthalen-1-yl-5-oxopyrrolidine-2-carboxylic acid
CID 121209164
1-[1-(2-bromophenyl)-2-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119355870
(3R)-N-benzyl-1-(2-benzylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 93330805
(3R)-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 40649107
1-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 66831918
1-naphthalen-1-ylimidazolidin-2-one
CID 70078556

Frequently Asked Questions

What is the IUPAC name of (3R)-1-naphthalen-1-yl-2-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-naphthalen-1-yl-2-oxopyrrolidine-3-carboxylic acid (CID 40623391) is (3R)-1-naphthalen-1-yl-2-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-naphthalen-1-yl-2-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-naphthalen-1-yl-2-oxopyrrolidine-3-carboxylic acid is O=C(O)[C@@H]1CCN(c2cccc3ccccc23)C1=O.
What is the InChIKey of (3R)-1-naphthalen-1-yl-2-oxopyrrolidine-3-carboxylic acid?
The InChIKey is BGTUAVMAHNEDLD-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H13NO3/c17-14-12(15(18)19)8-9-16(14)13-7-3-5-10-4-1-2-6-11(10)13/h1-7,12H,8-9H2,(H,18,19)/t12-/m1/s1.
What are the key properties of (3R)-1-naphthalen-1-yl-2-oxopyrrolidine-3-carboxylic acid?
(3R)-1-naphthalen-1-yl-2-oxopyrrolidine-3-carboxylic acid has a molecular weight of 255.27 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-naphthalen-1-yl-2-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 40623391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).