1-O-tert-butyl 2-O-methyl (4R)-4-hydroxy-2-(phenylmethoxymethyl)pyrrolidine-1,2-dicarboxylate

C19H27NO6 — CID 156704536

IUPAC1-O-tert-butyl 2-O-methyl (4R)-4-hydroxy-2-(phenylmethoxymethyl)pyrrolidine-1,2-dicarboxylate
SMILESCOC(=O)C1(COCc2ccccc2)C[C@@H](O)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C19H27NO6/c1-18(2,3)26-17(23)20-11-15(21)10-19(20,16(22)24-4)13-25-12-14-8-6-5-7-9-14/h5-9,15,21H,10-13H2,1-4H3/t15-,19?/m1/s1
InChIKeyMAKNSSJZCZXIKB-NYRJJRHWSA-N
MW365.43 g/mol
LogP2.12
Rot. Bonds5

About 1-O-tert-butyl 2-O-methyl (4R)-4-hydroxy-2-(phenylmethoxymethyl)pyrrolidine-1,2-dicarboxylate

1-O-tert-butyl 2-O-methyl (4R)-4-hydroxy-2-(phenylmethoxymethyl)pyrrolidine-1,2-dicarboxylate (PubChem CID 156704536) has the molecular formula C19H27NO6 and a molecular weight of 365.43 g/mol. Its IUPAC name is 1-O-tert-butyl 2-O-methyl (4R)-4-hydroxy-2-(phenylmethoxymethyl)pyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 2-O-methyl (4R)-4-hydroxy-2-(phenylmethoxymethyl)pyrrolidine-1,2-dicarboxylate
PubChem CID156704536
Molecular FormulaC19H27NO6
Molecular Weight365.43 g/mol
Exact Mass365.18
IUPAC Name1-O-tert-butyl 2-O-methyl (4R)-4-hydroxy-2-(phenylmethoxymethyl)pyrrolidine-1,2-dicarboxylate
SMILESCOC(=O)C1(COCc2ccccc2)C[C@@H](O)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C19H27NO6/c1-18(2,3)26-17(23)20-11-15(21)10-19(20,16(22)24-4)13-25-12-14-8-6-5-7-9-14/h5-9,15,21H,10-13H2,1-4H3/t15-,19?/m1/s1
InChIKeyMAKNSSJZCZXIKB-NYRJJRHWSA-N
XLogP2.12
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-O-tert-butyl 2-O-methyl 2-(phenylmethoxymethyl)-4-trimethylsilyloxypyrrolidine-1,2-dicarboxylate
CID 174039853
1-O,4-O-ditert-butyl 2-O-methyl 2-(phenylmethoxymethyl)piperazine-1,2,4-tricarboxylate
CID 118358792
2-O-benzyl 1-O-tert-butyl (2R,4R)-4-hydroxy-2-methylpyrrolidine-1,2-dicarboxylate
CID 16757422
1-O-tert-butyl 2-O-methyl (2R,4R)-2-benzyl-4-fluoropyrrolidine-1,2-dicarboxylate
CID 101423756
tert-butyl (2S,5R)-5-hydroxy-2-methyl-2-(phenylmethoxymethyl)-1,3-oxazepane-3-carboxylate
CID 175611831
tert-butyl 2-(methylcarbamoyl)-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate
CID 123270754
(2S,4R)-2-benzyl-4-hydroxy-2-methoxycarbonylpyrrolidine-1-carboxylic acid
CID 67034148
tert-butyl 2-[(3-hydroxy-1-methoxy-1-oxobutan-2-yl)carbamoyl]-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate
CID 123620552
1-O-tert-butyl 3-O-methyl 3-(phenylmethoxymethyl)pyrrolidine-1,3-dicarboxylate
CID 135322814
(2S,4R)-4-hydroxy-2-(hydroxymethyl)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 57116212
1-O-tert-butyl 2-O-methyl (2S,4R)-4-azido-2-[(3-phenylphenyl)methyl]pyrrolidine-1,2-dicarboxylate
CID 177365257
tert-butyl (2S,4S)-2-benzyl-2-(hydroxymethyl)-4-phenylmethoxypyrrolidine-1-carboxylate
CID 155391049

Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 2-O-methyl (4R)-4-hydroxy-2-(phenylmethoxymethyl)pyrrolidine-1,2-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 2-O-methyl (4R)-4-hydroxy-2-(phenylmethoxymethyl)pyrrolidine-1,2-dicarboxylate (CID 156704536) is 1-O-tert-butyl 2-O-methyl (4R)-4-hydroxy-2-(phenylmethoxymethyl)pyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 2-O-methyl (4R)-4-hydroxy-2-(phenylmethoxymethyl)pyrrolidine-1,2-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 2-O-methyl (4R)-4-hydroxy-2-(phenylmethoxymethyl)pyrrolidine-1,2-dicarboxylate is COC(=O)C1(COCc2ccccc2)C[C@@H](O)CN1C(=O)OC(C)(C)C.
What is the InChIKey of 1-O-tert-butyl 2-O-methyl (4R)-4-hydroxy-2-(phenylmethoxymethyl)pyrrolidine-1,2-dicarboxylate?
The InChIKey is MAKNSSJZCZXIKB-NYRJJRHWSA-N. The full InChI is InChI=1S/C19H27NO6/c1-18(2,3)26-17(23)20-11-15(21)10-19(20,16(22)24-4)13-25-12-14-8-6-5-7-9-14/h5-9,15,21H,10-13H2,1-4H3/t15-,19?/m1/s1.
What are the key properties of 1-O-tert-butyl 2-O-methyl (4R)-4-hydroxy-2-(phenylmethoxymethyl)pyrrolidine-1,2-dicarboxylate?
1-O-tert-butyl 2-O-methyl (4R)-4-hydroxy-2-(phenylmethoxymethyl)pyrrolidine-1,2-dicarboxylate has a molecular weight of 365.43 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 2-O-methyl (4R)-4-hydroxy-2-(phenylmethoxymethyl)pyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 156704536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).