2-[(2S)-1-[(2R)-2-(benzylcarbamoyl)cyclopentanecarbonyl]pyrrolidin-2-yl]-2-oxoacetic acid

C20H24N2O5 — CID 15660967

IUPAC2-[(2S)-1-[(2R)-2-(benzylcarbamoyl)cyclopentanecarbonyl]pyrrolidin-2-yl]-2-oxoacetic acid
SMILESO=C(O)C(=O)[C@@H]1CCCN1C(=O)C1CCC[C@H]1C(=O)NCc1ccccc1
InChIInChI=1S/C20H24N2O5/c23-17(20(26)27)16-10-5-11-22(16)19(25)15-9-4-8-14(15)18(24)21-12-13-6-2-1-3-7-13/h1-3,6-7,14-16H,4-5,8-12H2,(H,21,24)(H,26,27)/t14-,15?,16+/m1/s1
InChIKeyRZPBDBXYLVPGKN-TUOGLVOQSA-N
MW372.42 g/mol
LogP1.36
Rot. Bonds6

About 2-[(2S)-1-[(2R)-2-(benzylcarbamoyl)cyclopentanecarbonyl]pyrrolidin-2-yl]-2-oxoacetic acid

2-[(2S)-1-[(2R)-2-(benzylcarbamoyl)cyclopentanecarbonyl]pyrrolidin-2-yl]-2-oxoacetic acid (PubChem CID 15660967) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is 2-[(2S)-1-[(2R)-2-(benzylcarbamoyl)cyclopentanecarbonyl]pyrrolidin-2-yl]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[(2S)-1-[(2R)-2-(benzylcarbamoyl)cyclopentanecarbonyl]pyrrolidin-2-yl]-2-oxoacetic acid
PubChem CID15660967
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Name2-[(2S)-1-[(2R)-2-(benzylcarbamoyl)cyclopentanecarbonyl]pyrrolidin-2-yl]-2-oxoacetic acid
SMILESO=C(O)C(=O)[C@@H]1CCCN1C(=O)C1CCC[C@H]1C(=O)NCc1ccccc1
InChIInChI=1S/C20H24N2O5/c23-17(20(26)27)16-10-5-11-22(16)19(25)15-9-4-8-14(15)18(24)21-12-13-6-2-1-3-7-13/h1-3,6-7,14-16H,4-5,8-12H2,(H,21,24)(H,26,27)/t14-,15?,16+/m1/s1
InChIKeyRZPBDBXYLVPGKN-TUOGLVOQSA-N
XLogP1.36
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[1-[(2S)-2-(benzylcarbamoyl)cyclopentanecarbonyl]pyrrolidin-2-yl]-2-oxoacetic acid
CID 67880360
(2R)-N-benzyl-1-[(2R)-1-(naphthalene-1-carbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 51049715
(2R)-N-benzyl-1-[(2R)-1-(4-fluorobenzoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 51049765
ethyl (2S)-2-(benzylcarbamoyl)pyrrolidine-1-carboxylate
CID 110286155
1-N-benzyl-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 47085421
N-benzyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 170418185
(2S)-1-N-benzyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468781
(2S)-1-N-benzyl-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468512
(2S)-N-benzyl-1-[(2R)-1-[4-fluoro-3-(trifluoromethyl)benzoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 51049748
N-benzyl-1-(2-cyclopropylpropanoyl)pyrrolidine-2-carboxamide
CID 110625860
(2S)-N-benzyl-1-pentanoylpyrrolidine-2-carboxamide
CID 110286101
(2S)-N-benzyl-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxamide
CID 110286160

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[(2R)-2-(benzylcarbamoyl)cyclopentanecarbonyl]pyrrolidin-2-yl]-2-oxoacetic acid?
The IUPAC name of 2-[(2S)-1-[(2R)-2-(benzylcarbamoyl)cyclopentanecarbonyl]pyrrolidin-2-yl]-2-oxoacetic acid (CID 15660967) is 2-[(2S)-1-[(2R)-2-(benzylcarbamoyl)cyclopentanecarbonyl]pyrrolidin-2-yl]-2-oxoacetic acid.
What is the SMILES notation for 2-[(2S)-1-[(2R)-2-(benzylcarbamoyl)cyclopentanecarbonyl]pyrrolidin-2-yl]-2-oxoacetic acid?
The canonical SMILES for 2-[(2S)-1-[(2R)-2-(benzylcarbamoyl)cyclopentanecarbonyl]pyrrolidin-2-yl]-2-oxoacetic acid is O=C(O)C(=O)[C@@H]1CCCN1C(=O)C1CCC[C@H]1C(=O)NCc1ccccc1.
What is the InChIKey of 2-[(2S)-1-[(2R)-2-(benzylcarbamoyl)cyclopentanecarbonyl]pyrrolidin-2-yl]-2-oxoacetic acid?
The InChIKey is RZPBDBXYLVPGKN-TUOGLVOQSA-N. The full InChI is InChI=1S/C20H24N2O5/c23-17(20(26)27)16-10-5-11-22(16)19(25)15-9-4-8-14(15)18(24)21-12-13-6-2-1-3-7-13/h1-3,6-7,14-16H,4-5,8-12H2,(H,21,24)(H,26,27)/t14-,15?,16+/m1/s1.
What are the key properties of 2-[(2S)-1-[(2R)-2-(benzylcarbamoyl)cyclopentanecarbonyl]pyrrolidin-2-yl]-2-oxoacetic acid?
2-[(2S)-1-[(2R)-2-(benzylcarbamoyl)cyclopentanecarbonyl]pyrrolidin-2-yl]-2-oxoacetic acid has a molecular weight of 372.42 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[(2R)-2-(benzylcarbamoyl)cyclopentanecarbonyl]pyrrolidin-2-yl]-2-oxoacetic acid is sourced from PubChem (CID 15660967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).