ethyl (2R,3R)-1-benzyl-2-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-methyl-4-oxoazetidine-2-carboxylate

C24H24N2O5 — CID 132571967

IUPACethyl (2R,3R)-1-benzyl-2-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-methyl-4-oxoazetidine-2-carboxylate
SMILESCCOC(=O)[C@@]1(CCN2C(=O)c3ccccc3C2=O)[C@@H](C)C(=O)N1Cc1ccccc1
InChIInChI=1S/C24H24N2O5/c1-3-31-23(30)24(16(2)20(27)26(24)15-17-9-5-4-6-10-17)13-14-25-21(28)18-11-7-8-12-19(18)22(25)29/h4-12,16H,3,13-15H2,1-2H3/t16-,24+/m0/s1
InChIKeyDHGXNLZYPSXUSC-UPCLLVRISA-N
MW420.47 g/mol
LogP2.65
Rot. Bonds7

About ethyl (2R,3R)-1-benzyl-2-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-methyl-4-oxoazetidine-2-carboxylate

ethyl (2R,3R)-1-benzyl-2-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-methyl-4-oxoazetidine-2-carboxylate (PubChem CID 132571967) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is ethyl (2R,3R)-1-benzyl-2-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-methyl-4-oxoazetidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R,3R)-1-benzyl-2-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-methyl-4-oxoazetidine-2-carboxylate
PubChem CID132571967
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC Nameethyl (2R,3R)-1-benzyl-2-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-methyl-4-oxoazetidine-2-carboxylate
SMILESCCOC(=O)[C@@]1(CCN2C(=O)c3ccccc3C2=O)[C@@H](C)C(=O)N1Cc1ccccc1
InChIInChI=1S/C24H24N2O5/c1-3-31-23(30)24(16(2)20(27)26(24)15-17-9-5-4-6-10-17)13-14-25-21(28)18-11-7-8-12-19(18)22(25)29/h4-12,16H,3,13-15H2,1-2H3/t16-,24+/m0/s1
InChIKeyDHGXNLZYPSXUSC-UPCLLVRISA-N
XLogP2.65
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

dicesium;(3R,4R)-1-benzyl-3-methyl-1,7-diazaspiro[3.4]octane-2,8-dione;ethyl (2R,3R)-1-benzyl-2-(2-formamidoethyl)-3-methyl-4-oxoazetidine-2-carboxylate;hydride;oxido formate
CID 161239405
ethyl 18-(1,3-dioxoisoindol-2-yl)octadecanoate
CID 70138302
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CID 11779023
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CID 169410251
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CID 134230399
ethyl 2-(4-benzylpiperidin-1-yl)-4-(1,3-dioxoisoindol-2-yl)butanoate
CID 10670476
ethyl (2R)-1-[(4-methoxyphenyl)methyl]-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxo-2-(phenylmethoxymethyl)azetidine-2-carboxylate
CID 102197100
ethyl 2-benzyl-3,4,6,8-tetramethyl-2-azabicyclo[2.2.2]octane-6-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3R)-1-benzyl-2-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-methyl-4-oxoazetidine-2-carboxylate?
The IUPAC name of ethyl (2R,3R)-1-benzyl-2-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-methyl-4-oxoazetidine-2-carboxylate (CID 132571967) is ethyl (2R,3R)-1-benzyl-2-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-methyl-4-oxoazetidine-2-carboxylate.
What is the SMILES notation for ethyl (2R,3R)-1-benzyl-2-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-methyl-4-oxoazetidine-2-carboxylate?
The canonical SMILES for ethyl (2R,3R)-1-benzyl-2-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-methyl-4-oxoazetidine-2-carboxylate is CCOC(=O)[C@@]1(CCN2C(=O)c3ccccc3C2=O)[C@@H](C)C(=O)N1Cc1ccccc1.
What is the InChIKey of ethyl (2R,3R)-1-benzyl-2-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-methyl-4-oxoazetidine-2-carboxylate?
The InChIKey is DHGXNLZYPSXUSC-UPCLLVRISA-N. The full InChI is InChI=1S/C24H24N2O5/c1-3-31-23(30)24(16(2)20(27)26(24)15-17-9-5-4-6-10-17)13-14-25-21(28)18-11-7-8-12-19(18)22(25)29/h4-12,16H,3,13-15H2,1-2H3/t16-,24+/m0/s1.
What are the key properties of ethyl (2R,3R)-1-benzyl-2-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-methyl-4-oxoazetidine-2-carboxylate?
ethyl (2R,3R)-1-benzyl-2-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-methyl-4-oxoazetidine-2-carboxylate has a molecular weight of 420.47 g/mol, XLogP of 2.65, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3R)-1-benzyl-2-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-methyl-4-oxoazetidine-2-carboxylate is sourced from PubChem (CID 132571967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).