tert-butyl 4-hydroxy-2-(2-methoxyphenyl)pyrrolidine-1-carboxylate

C16H23NO4 — CID 167728785

IUPACtert-butyl 4-hydroxy-2-(2-methoxyphenyl)pyrrolidine-1-carboxylate
SMILESCOc1ccccc1C1CC(O)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H23NO4/c1-16(2,3)21-15(19)17-10-11(18)9-13(17)12-7-5-6-8-14(12)20-4/h5-8,11,13,18H,9-10H2,1-4H3
InChIKeyGPPXQYIQYKIOTE-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.74
Rot. Bonds2

About tert-butyl 4-hydroxy-2-(2-methoxyphenyl)pyrrolidine-1-carboxylate

tert-butyl 4-hydroxy-2-(2-methoxyphenyl)pyrrolidine-1-carboxylate (PubChem CID 167728785) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is tert-butyl 4-hydroxy-2-(2-methoxyphenyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-hydroxy-2-(2-methoxyphenyl)pyrrolidine-1-carboxylate
PubChem CID167728785
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Nametert-butyl 4-hydroxy-2-(2-methoxyphenyl)pyrrolidine-1-carboxylate
SMILESCOc1ccccc1C1CC(O)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H23NO4/c1-16(2,3)21-15(19)17-10-11(18)9-13(17)12-7-5-6-8-14(12)20-4/h5-8,11,13,18H,9-10H2,1-4H3
InChIKeyGPPXQYIQYKIOTE-UHFFFAOYSA-N
XLogP2.74
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-(4-bromophenyl)-4-hydroxypyrrolidine-1-carboxylate
CID 85292256
tert-butyl (2S,3S)-3-amino-2-(2-methoxyphenyl)pyrrolidine-1-carboxylate
CID 124670975
tert-butyl (2S,4R)-2-(1,3-benzothiazol-2-yl)-4-hydroxypyrrolidine-1-carboxylate
CID 175964109
tert-butyl (2S)-2-phenylaziridine-1-carboxylate
CID 11769967
(3R,4R)-4-(2-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 51441183
tert-butyl (2R,4S)-4-hydroxy-2-(phenoxymethyl)pyrrolidine-1-carboxylate
CID 70266467
tert-butyl (4R)-4-hydroxy-2-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-1-carboxylate
CID 177123075
tert-butyl (2S,4S)-4-hydroxy-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxylate
CID 69318335
tert-butyl (3S)-4-[2-(carbamoylamino)-2-oxoethyl]-3-(2-methoxyphenyl)piperazine-1-carboxylate
CID 100736080
tert-butyl 4-methyl-2-phenylpyrrolidine-1-carboxylate
CID 170718600
[2-fluoro-4-[4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]boronic acid
CID 174202833
tert-butyl (2R,4R)-4-isocyano-2-phenylpyrrolidine-1-carboxylate
CID 176768469

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-hydroxy-2-(2-methoxyphenyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 4-hydroxy-2-(2-methoxyphenyl)pyrrolidine-1-carboxylate (CID 167728785) is tert-butyl 4-hydroxy-2-(2-methoxyphenyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-hydroxy-2-(2-methoxyphenyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-hydroxy-2-(2-methoxyphenyl)pyrrolidine-1-carboxylate is COc1ccccc1C1CC(O)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-hydroxy-2-(2-methoxyphenyl)pyrrolidine-1-carboxylate?
The InChIKey is GPPXQYIQYKIOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-16(2,3)21-15(19)17-10-11(18)9-13(17)12-7-5-6-8-14(12)20-4/h5-8,11,13,18H,9-10H2,1-4H3.
What are the key properties of tert-butyl 4-hydroxy-2-(2-methoxyphenyl)pyrrolidine-1-carboxylate?
tert-butyl 4-hydroxy-2-(2-methoxyphenyl)pyrrolidine-1-carboxylate has a molecular weight of 293.36 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-hydroxy-2-(2-methoxyphenyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 167728785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).