tert-butyl (2S,3S)-3-hydroxy-2-naphthalen-1-yl-5-oxopyrrolidine-1-carboxylate

C19H21NO4 — CID 18662939

IUPACtert-butyl (2S,3S)-3-hydroxy-2-naphthalen-1-yl-5-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)C[C@H](O)[C@@H]1c1cccc2ccccc12
InChIInChI=1S/C19H21NO4/c1-19(2,3)24-18(23)20-16(22)11-15(21)17(20)14-10-6-8-12-7-4-5-9-13(12)14/h4-10,15,17,21H,11H2,1-3H3/t15-,17-/m0/s1
InChIKeyDTWNKTDZTLVHLG-RDJZCZTQSA-N
MW327.38 g/mol
LogP3.41
Rot. Bonds1

About tert-butyl (2S,3S)-3-hydroxy-2-naphthalen-1-yl-5-oxopyrrolidine-1-carboxylate

tert-butyl (2S,3S)-3-hydroxy-2-naphthalen-1-yl-5-oxopyrrolidine-1-carboxylate (PubChem CID 18662939) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is tert-butyl (2S,3S)-3-hydroxy-2-naphthalen-1-yl-5-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,3S)-3-hydroxy-2-naphthalen-1-yl-5-oxopyrrolidine-1-carboxylate
PubChem CID18662939
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Nametert-butyl (2S,3S)-3-hydroxy-2-naphthalen-1-yl-5-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)C[C@H](O)[C@@H]1c1cccc2ccccc12
InChIInChI=1S/C19H21NO4/c1-19(2,3)24-18(23)20-16(22)11-15(21)17(20)14-10-6-8-12-7-4-5-9-13(12)14/h4-10,15,17,21H,11H2,1-3H3/t15-,17-/m0/s1
InChIKeyDTWNKTDZTLVHLG-RDJZCZTQSA-N
XLogP3.41
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,3S)-3-hydroxy-2-naphthalen-1-yl-5-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,3S)-3-hydroxy-2-naphthalen-1-yl-5-oxopyrrolidine-1-carboxylate (CID 18662939) is tert-butyl (2S,3S)-3-hydroxy-2-naphthalen-1-yl-5-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,3S)-3-hydroxy-2-naphthalen-1-yl-5-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,3S)-3-hydroxy-2-naphthalen-1-yl-5-oxopyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C(=O)C[C@H](O)[C@@H]1c1cccc2ccccc12.
What is the InChIKey of tert-butyl (2S,3S)-3-hydroxy-2-naphthalen-1-yl-5-oxopyrrolidine-1-carboxylate?
The InChIKey is DTWNKTDZTLVHLG-RDJZCZTQSA-N. The full InChI is InChI=1S/C19H21NO4/c1-19(2,3)24-18(23)20-16(22)11-15(21)17(20)14-10-6-8-12-7-4-5-9-13(12)14/h4-10,15,17,21H,11H2,1-3H3/t15-,17-/m0/s1.
What are the key properties of tert-butyl (2S,3S)-3-hydroxy-2-naphthalen-1-yl-5-oxopyrrolidine-1-carboxylate?
tert-butyl (2S,3S)-3-hydroxy-2-naphthalen-1-yl-5-oxopyrrolidine-1-carboxylate has a molecular weight of 327.38 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,3S)-3-hydroxy-2-naphthalen-1-yl-5-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 18662939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).