dimethyl (2S,4R)-4-(naphthalen-2-ylmethyl)-5-oxopyrrolidine-1,2-dicarboxylate

C19H19NO5 — CID 11782796

IUPACdimethyl (2S,4R)-4-(naphthalen-2-ylmethyl)-5-oxopyrrolidine-1,2-dicarboxylate
SMILESCOC(=O)[C@@H]1C[C@@H](Cc2ccc3ccccc3c2)C(=O)N1C(=O)OC
InChIInChI=1S/C19H19NO5/c1-24-18(22)16-11-15(17(21)20(16)19(23)25-2)10-12-7-8-13-5-3-4-6-14(13)9-12/h3-9,15-16H,10-11H2,1-2H3/t15-,16+/m1/s1
InChIKeyLDNYUPSELPVYEE-CVEARBPZSA-N
MW341.36 g/mol
LogP2.54
Rot. Bonds3

About dimethyl (2S,4R)-4-(naphthalen-2-ylmethyl)-5-oxopyrrolidine-1,2-dicarboxylate

dimethyl (2S,4R)-4-(naphthalen-2-ylmethyl)-5-oxopyrrolidine-1,2-dicarboxylate (PubChem CID 11782796) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is dimethyl (2S,4R)-4-(naphthalen-2-ylmethyl)-5-oxopyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl (2S,4R)-4-(naphthalen-2-ylmethyl)-5-oxopyrrolidine-1,2-dicarboxylate
PubChem CID11782796
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Namedimethyl (2S,4R)-4-(naphthalen-2-ylmethyl)-5-oxopyrrolidine-1,2-dicarboxylate
SMILESCOC(=O)[C@@H]1C[C@@H](Cc2ccc3ccccc3c2)C(=O)N1C(=O)OC
InChIInChI=1S/C19H19NO5/c1-24-18(22)16-11-15(17(21)20(16)19(23)25-2)10-12-7-8-13-5-3-4-6-14(13)9-12/h3-9,15-16H,10-11H2,1-2H3/t15-,16+/m1/s1
InChIKeyLDNYUPSELPVYEE-CVEARBPZSA-N
XLogP2.54
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dimethyl (2S,4R)-4-(naphthalen-2-ylmethyl)-5-oxopyrrolidine-1,2-dicarboxylate?
The IUPAC name of dimethyl (2S,4R)-4-(naphthalen-2-ylmethyl)-5-oxopyrrolidine-1,2-dicarboxylate (CID 11782796) is dimethyl (2S,4R)-4-(naphthalen-2-ylmethyl)-5-oxopyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for dimethyl (2S,4R)-4-(naphthalen-2-ylmethyl)-5-oxopyrrolidine-1,2-dicarboxylate?
The canonical SMILES for dimethyl (2S,4R)-4-(naphthalen-2-ylmethyl)-5-oxopyrrolidine-1,2-dicarboxylate is COC(=O)[C@@H]1C[C@@H](Cc2ccc3ccccc3c2)C(=O)N1C(=O)OC.
What is the InChIKey of dimethyl (2S,4R)-4-(naphthalen-2-ylmethyl)-5-oxopyrrolidine-1,2-dicarboxylate?
The InChIKey is LDNYUPSELPVYEE-CVEARBPZSA-N. The full InChI is InChI=1S/C19H19NO5/c1-24-18(22)16-11-15(17(21)20(16)19(23)25-2)10-12-7-8-13-5-3-4-6-14(13)9-12/h3-9,15-16H,10-11H2,1-2H3/t15-,16+/m1/s1.
What are the key properties of dimethyl (2S,4R)-4-(naphthalen-2-ylmethyl)-5-oxopyrrolidine-1,2-dicarboxylate?
dimethyl (2S,4R)-4-(naphthalen-2-ylmethyl)-5-oxopyrrolidine-1,2-dicarboxylate has a molecular weight of 341.36 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2S,4R)-4-(naphthalen-2-ylmethyl)-5-oxopyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 11782796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).