[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate

C23H25N3O5 — CID 8885940

IUPAC[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate
SMILESCc1cccc(C(=O)N[C@@H](C)C(=O)OCC(=O)Nc2ccc(N3CCCC3=O)cc2)c1
InChIInChI=1S/C23H25N3O5/c1-15-5-3-6-17(13-15)22(29)24-16(2)23(30)31-14-20(27)25-18-8-10-19(11-9-18)26-12-4-7-21(26)28/h3,5-6,8-11,13,16H,4,7,12,14H2,1-2H3,(H,24,29)(H,25,27)/t16-/m0/s1
InChIKeyGFLAEQDUFQBPDL-INIZCTEOSA-N
MW423.47 g/mol
LogP2.42
Rot. Bonds7

About [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate

[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate (PubChem CID 8885940) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate.

Molecular Properties

Compound Name[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate
PubChem CID8885940
Molecular FormulaC23H25N3O5
Molecular Weight423.47 g/mol
Exact Mass423.18
IUPAC Name[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate
SMILESCc1cccc(C(=O)N[C@@H](C)C(=O)OCC(=O)Nc2ccc(N3CCCC3=O)cc2)c1
InChIInChI=1S/C23H25N3O5/c1-15-5-3-6-17(13-15)22(29)24-16(2)23(30)31-14-20(27)25-18-8-10-19(11-9-18)26-12-4-7-21(26)28/h3,5-6,8-11,13,16H,4,7,12,14H2,1-2H3,(H,24,29)(H,25,27)/t16-/m0/s1
InChIKeyGFLAEQDUFQBPDL-INIZCTEOSA-N
XLogP2.42
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-methylanilino)-2-oxoethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate
CID 8884724
[2-(3,5-dimethylanilino)-2-oxoethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate
CID 8884835
2-(3-methylphenoxy)-N-[4-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 7687320
[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] (2S)-2-[(3-nitrobenzoyl)amino]propanoate
CID 55936388
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 8581421
[2-(4-acetamidophenyl)-2-oxoethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate
CID 8885301
(2S)-2-(3-methylphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 92681474
N-[2-(3-methylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24535918
[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] (2R)-2-[(3-methylbenzoyl)amino]propanoate
CID 39905970
N-[(2S,3S)-3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]pentan-2-yl]benzamide
CID 9371180
N-[3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]pentan-2-yl]benzamide
CID 78788339
(2-anilino-2-oxoethyl) 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7404789

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate?
The IUPAC name of [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate (CID 8885940) is [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate.
What is the SMILES notation for [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate?
The canonical SMILES for [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate is Cc1cccc(C(=O)N[C@@H](C)C(=O)OCC(=O)Nc2ccc(N3CCCC3=O)cc2)c1.
What is the InChIKey of [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate?
The InChIKey is GFLAEQDUFQBPDL-INIZCTEOSA-N. The full InChI is InChI=1S/C23H25N3O5/c1-15-5-3-6-17(13-15)22(29)24-16(2)23(30)31-14-20(27)25-18-8-10-19(11-9-18)26-12-4-7-21(26)28/h3,5-6,8-11,13,16H,4,7,12,14H2,1-2H3,(H,24,29)(H,25,27)/t16-/m0/s1.
What are the key properties of [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate?
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate has a molecular weight of 423.47 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate is sourced from PubChem (CID 8885940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).