(2S)-5-oxo-1-[[(3S,4R)-2-oxo-1,4-diphenylazetidin-3-yl]methyl]pyrrolidine-2-carboxylic acid

C21H20N2O4 — CID 11646274

IUPAC(2S)-5-oxo-1-[[(3S,4R)-2-oxo-1,4-diphenylazetidin-3-yl]methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCC(=O)N1C[C@@H]1C(=O)N(c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C21H20N2O4/c24-18-12-11-17(21(26)27)22(18)13-16-19(14-7-3-1-4-8-14)23(20(16)25)15-9-5-2-6-10-15/h1-10,16-17,19H,11-13H2,(H,26,27)/t16-,17-,19-/m0/s1
InChIKeyNSVXTPVLDVLRIW-LNLFQRSKSA-N
MW364.40 g/mol
LogP2.47
Rot. Bonds5

About (2S)-5-oxo-1-[[(3S,4R)-2-oxo-1,4-diphenylazetidin-3-yl]methyl]pyrrolidine-2-carboxylic acid

(2S)-5-oxo-1-[[(3S,4R)-2-oxo-1,4-diphenylazetidin-3-yl]methyl]pyrrolidine-2-carboxylic acid (PubChem CID 11646274) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is (2S)-5-oxo-1-[[(3S,4R)-2-oxo-1,4-diphenylazetidin-3-yl]methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-5-oxo-1-[[(3S,4R)-2-oxo-1,4-diphenylazetidin-3-yl]methyl]pyrrolidine-2-carboxylic acid
PubChem CID11646274
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name(2S)-5-oxo-1-[[(3S,4R)-2-oxo-1,4-diphenylazetidin-3-yl]methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCC(=O)N1C[C@@H]1C(=O)N(c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C21H20N2O4/c24-18-12-11-17(21(26)27)22(18)13-16-19(14-7-3-1-4-8-14)23(20(16)25)15-9-5-2-6-10-15/h1-10,16-17,19H,11-13H2,(H,26,27)/t16-,17-,19-/m0/s1
InChIKeyNSVXTPVLDVLRIW-LNLFQRSKSA-N
XLogP2.47
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-oxo-1-[[(3S,4R)-2-oxo-1,4-diphenylazetidin-3-yl]methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-5-oxo-1-[[(3S,4R)-2-oxo-1,4-diphenylazetidin-3-yl]methyl]pyrrolidine-2-carboxylic acid (CID 11646274) is (2S)-5-oxo-1-[[(3S,4R)-2-oxo-1,4-diphenylazetidin-3-yl]methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-5-oxo-1-[[(3S,4R)-2-oxo-1,4-diphenylazetidin-3-yl]methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-5-oxo-1-[[(3S,4R)-2-oxo-1,4-diphenylazetidin-3-yl]methyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCC(=O)N1C[C@@H]1C(=O)N(c2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of (2S)-5-oxo-1-[[(3S,4R)-2-oxo-1,4-diphenylazetidin-3-yl]methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is NSVXTPVLDVLRIW-LNLFQRSKSA-N. The full InChI is InChI=1S/C21H20N2O4/c24-18-12-11-17(21(26)27)22(18)13-16-19(14-7-3-1-4-8-14)23(20(16)25)15-9-5-2-6-10-15/h1-10,16-17,19H,11-13H2,(H,26,27)/t16-,17-,19-/m0/s1.
What are the key properties of (2S)-5-oxo-1-[[(3S,4R)-2-oxo-1,4-diphenylazetidin-3-yl]methyl]pyrrolidine-2-carboxylic acid?
(2S)-5-oxo-1-[[(3S,4R)-2-oxo-1,4-diphenylazetidin-3-yl]methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 364.40 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-oxo-1-[[(3S,4R)-2-oxo-1,4-diphenylazetidin-3-yl]methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 11646274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).