4-[[(3S)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carbonyl]amino]benzoate

C22H17N2O4- — CID 9005113

IUPAC4-[[(3S)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
SMILESO=C([O-])c1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)cc1
InChIInChI=1S/C22H18N2O4/c25-20-12-16(21(26)23-17-10-8-15(9-11-17)22(27)28)13-24(20)19-7-3-5-14-4-1-2-6-18(14)19/h1-11,16H,12-13H2,(H,23,26)(H,27,28)/p-1/t16-/m0/s1
InChIKeyOMEYNFYONFCQNN-INIZCTEOSA-M
MW373.39 g/mol
LogP2.19
Rot. Bonds4

About 4-[[(3S)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carbonyl]amino]benzoate

4-[[(3S)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carbonyl]amino]benzoate (PubChem CID 9005113) has the molecular formula C22H17N2O4- and a molecular weight of 373.39 g/mol. Its IUPAC name is 4-[[(3S)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Name4-[[(3S)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
PubChem CID9005113
Molecular FormulaC22H17N2O4-
Molecular Weight373.39 g/mol
Exact Mass373.12
IUPAC Name4-[[(3S)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
SMILESO=C([O-])c1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)cc1
InChIInChI=1S/C22H18N2O4/c25-20-12-16(21(26)23-17-10-8-15(9-11-17)22(27)28)13-24(20)19-7-3-5-14-4-1-2-6-18(14)19/h1-11,16H,12-13H2,(H,23,26)(H,27,28)/p-1/t16-/m0/s1
InChIKeyOMEYNFYONFCQNN-INIZCTEOSA-M
XLogP2.19
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[(3S)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carbonyl]amino]benzoate with MolForge

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Related Compounds

(3R)-1-naphthalen-1-yl-5-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 51866733
N-(4-cyanophenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 42999486
(3R)-N-(3,4-dichlorophenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 9005097
N-(2-hydroxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 46665270
(3S)-1-naphthalen-1-yl-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 26817291
N-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 47099878
(3S)-N-(2,6-dimethylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 9005100
(3S)-N-(2-methylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 26914330
4-[[(3S)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 9004855
3-[[(3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 9004553
4-[[(3S)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 9005077
(3S)-N-(2-morpholin-4-ylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 9461562

Frequently Asked Questions

What is the IUPAC name of 4-[[(3S)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carbonyl]amino]benzoate?
The IUPAC name of 4-[[(3S)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carbonyl]amino]benzoate (CID 9005113) is 4-[[(3S)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carbonyl]amino]benzoate.
What is the SMILES notation for 4-[[(3S)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carbonyl]amino]benzoate?
The canonical SMILES for 4-[[(3S)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carbonyl]amino]benzoate is O=C([O-])c1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)cc1.
What is the InChIKey of 4-[[(3S)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carbonyl]amino]benzoate?
The InChIKey is OMEYNFYONFCQNN-INIZCTEOSA-M. The full InChI is InChI=1S/C22H18N2O4/c25-20-12-16(21(26)23-17-10-8-15(9-11-17)22(27)28)13-24(20)19-7-3-5-14-4-1-2-6-18(14)19/h1-11,16H,12-13H2,(H,23,26)(H,27,28)/p-1/t16-/m0/s1.
What are the key properties of 4-[[(3S)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carbonyl]amino]benzoate?
4-[[(3S)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carbonyl]amino]benzoate has a molecular weight of 373.39 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 9005113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).