tert-butyl (4R)-4-hydroxy-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylate

C19H23NO5S — CID 70002765

IUPACtert-butyl (4R)-4-hydroxy-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)C1C[C@@H](O)CN1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H23NO5S/c1-19(2,3)25-18(22)17-11-15(21)12-20(17)26(23,24)16-9-8-13-6-4-5-7-14(13)10-16/h4-10,15,17,21H,11-12H2,1-3H3/t15-,17?/m1/s1
InChIKeyMKPCFIHTXASDCB-LDCVWXEPSA-N
MW377.46 g/mol
LogP2.31
Rot. Bonds3

About tert-butyl (4R)-4-hydroxy-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylate

tert-butyl (4R)-4-hydroxy-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylate (PubChem CID 70002765) has the molecular formula C19H23NO5S and a molecular weight of 377.46 g/mol. Its IUPAC name is tert-butyl (4R)-4-hydroxy-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-hydroxy-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylate
PubChem CID70002765
Molecular FormulaC19H23NO5S
Molecular Weight377.46 g/mol
Exact Mass377.13
IUPAC Nametert-butyl (4R)-4-hydroxy-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)C1C[C@@H](O)CN1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H23NO5S/c1-19(2,3)25-18(22)17-11-15(21)12-20(17)26(23,24)16-9-8-13-6-4-5-7-14(13)10-16/h4-10,15,17,21H,11-12H2,1-3H3/t15-,17?/m1/s1
InChIKeyMKPCFIHTXASDCB-LDCVWXEPSA-N
XLogP2.31
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2R,4R)-4-hydroxy-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylate
CID 7987004
benzyl (2S,4R)-4-[(2-methylpropan-2-yl)oxy]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylate
CID 69433308
3,4-dihydro-1H-isoquinolin-2-yl-[(2R,4R)-4-hydroxy-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]methanone
CID 6591452
methyl (2R)-4-hydroxy-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate
CID 54043412
(3S,5R)-1-naphthalen-2-ylsulfonyl-5-(phenoxymethyl)pyrrolidin-3-ol
CID 69429484
methyl 1-naphthalen-2-ylsulfonyl-4-(tribenzyl-λ4-sulfanyl)pyrrolidine-2-carboxylate
CID 141046954
6-methoxycarbonyl-1-naphthalen-2-ylsulfonylpiperidine-3-carboxylic acid
CID 69429564
N-(4-bromo-2-fluorophenyl)-4-hydroxy-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 4009717
S-(5-carbamoyl-1-naphthalen-2-ylsulfonylpyrrolidin-3-yl) ethanethioate
CID 141072281
[2-[6-amino-1-benzyl-3-(2-methoxy-2-oxoethyl)-2,4-dioxopyrimidin-5-yl]-2-oxoethyl] (2S,4R)-4-hydroxy-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylate
CID 99683235
[2-[6-amino-1-benzyl-3-(2-methoxy-2-oxoethyl)-2,4-dioxopyrimidin-5-yl]-2-oxoethyl] (2S,4S)-4-hydroxy-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylate
CID 99683233
tert-butyl (2S)-2-(4-naphthalen-2-ylsulfonylpiperazine-1-carbonyl)pyrrolidine-1-carboxylate
CID 36913333

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-hydroxy-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylate?
The IUPAC name of tert-butyl (4R)-4-hydroxy-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylate (CID 70002765) is tert-butyl (4R)-4-hydroxy-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-hydroxy-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-hydroxy-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylate is CC(C)(C)OC(=O)C1C[C@@H](O)CN1S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of tert-butyl (4R)-4-hydroxy-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylate?
The InChIKey is MKPCFIHTXASDCB-LDCVWXEPSA-N. The full InChI is InChI=1S/C19H23NO5S/c1-19(2,3)25-18(22)17-11-15(21)12-20(17)26(23,24)16-9-8-13-6-4-5-7-14(13)10-16/h4-10,15,17,21H,11-12H2,1-3H3/t15-,17?/m1/s1.
What are the key properties of tert-butyl (4R)-4-hydroxy-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylate?
tert-butyl (4R)-4-hydroxy-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylate has a molecular weight of 377.46 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-hydroxy-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylate is sourced from PubChem (CID 70002765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).