[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate

C22H21N5O4 — CID 8509988

IUPAC[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate
SMILESO=C(COC(=O)[C@H](Cc1ccccc1)n1cnnn1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C22H21N5O4/c28-20(17-8-10-18(11-9-17)26-12-4-7-21(26)29)14-31-22(30)19(27-15-23-24-25-27)13-16-5-2-1-3-6-16/h1-3,5-6,8-11,15,19H,4,7,12-14H2/t19-/m0/s1
InChIKeyLFRZUBIZBKOFCF-IBGZPJMESA-N
MW419.44 g/mol
LogP2.01
Rot. Bonds8

About [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate

[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate (PubChem CID 8509988) has the molecular formula C22H21N5O4 and a molecular weight of 419.44 g/mol. Its IUPAC name is [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate.

Molecular Properties

Compound Name[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate
PubChem CID8509988
Molecular FormulaC22H21N5O4
Molecular Weight419.44 g/mol
Exact Mass419.16
IUPAC Name[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate
SMILESO=C(COC(=O)[C@H](Cc1ccccc1)n1cnnn1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C22H21N5O4/c28-20(17-8-10-18(11-9-17)26-12-4-7-21(26)29)14-31-22(30)19(27-15-23-24-25-27)13-16-5-2-1-3-6-16/h1-3,5-6,8-11,15,19H,4,7,12-14H2/t19-/m0/s1
InChIKeyLFRZUBIZBKOFCF-IBGZPJMESA-N
XLogP2.01
TPSA107.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] (2R)-3-phenyl-2-(tetrazol-1-yl)propanoate
CID 135752788
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (2R)-3-phenyl-2-(tetrazol-1-yl)propanoate
CID 135818910
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] benzoate
CID 8648324
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 1-benzofuran-2-carboxylate
CID 8751695
[2-(4-ethylphenyl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 3342322
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-[(2-phenylacetyl)amino]benzoate
CID 46610595
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 4-hydroxybenzoate
CID 8647274
[2-(4-bromophenyl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 3557850
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(2,3-dioxoindol-1-yl)acetate
CID 8938877
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 3-hydroxynaphthalene-2-carboxylate
CID 8647555
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(2,6-dimethylphenoxy)acetate
CID 8883095
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(3,4-dimethylphenyl)acetate
CID 8850092

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate?
The IUPAC name of [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate (CID 8509988) is [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate.
What is the SMILES notation for [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate?
The canonical SMILES for [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate is O=C(COC(=O)[C@H](Cc1ccccc1)n1cnnn1)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate?
The InChIKey is LFRZUBIZBKOFCF-IBGZPJMESA-N. The full InChI is InChI=1S/C22H21N5O4/c28-20(17-8-10-18(11-9-17)26-12-4-7-21(26)29)14-31-22(30)19(27-15-23-24-25-27)13-16-5-2-1-3-6-16/h1-3,5-6,8-11,15,19H,4,7,12-14H2/t19-/m0/s1.
What are the key properties of [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate?
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate has a molecular weight of 419.44 g/mol, XLogP of 2.01, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate is sourced from PubChem (CID 8509988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).