benzyl 3-hydroxy-3-phenylpyrrolidine-1-carboxylate

C18H19NO3 — CID 14127359

IUPACbenzyl 3-hydroxy-3-phenylpyrrolidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(O)(c2ccccc2)C1
InChIInChI=1S/C18H19NO3/c20-17(22-13-15-7-3-1-4-8-15)19-12-11-18(21,14-19)16-9-5-2-6-10-16/h1-10,21H,11-14H2
InChIKeyCCZVUFRZIJNXJF-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.92
Rot. Bonds3

About benzyl 3-hydroxy-3-phenylpyrrolidine-1-carboxylate

benzyl 3-hydroxy-3-phenylpyrrolidine-1-carboxylate (PubChem CID 14127359) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is benzyl 3-hydroxy-3-phenylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-hydroxy-3-phenylpyrrolidine-1-carboxylate
PubChem CID14127359
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Namebenzyl 3-hydroxy-3-phenylpyrrolidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(O)(c2ccccc2)C1
InChIInChI=1S/C18H19NO3/c20-17(22-13-15-7-3-1-4-8-15)19-12-11-18(21,14-19)16-9-5-2-6-10-16/h1-10,21H,11-14H2
InChIKeyCCZVUFRZIJNXJF-UHFFFAOYSA-N
XLogP2.92
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 4-hydroxy-4-phenylazepane-1-carboxylate
CID 138755008
ethyl 3-hydroxy-3-phenylpyrrolidine-1-carboxylate
CID 154734195
benzyl 4-hydroxy-4-(4-methylsulfanylphenyl)piperidine-1-carboxylate
CID 54223724
benzyl 3-ethyl-3-hydroxypyrrolidine-1-carboxylate
CID 134177582
benzyl (3R)-3-fluoro-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 121242240
benzyl 4-carbamoyl-4-phenylpiperidine-1-carboxylate
CID 118012720
benzyl (3R)-1-oxa-6-azaspiro[2.4]heptane-6-carboxylate
CID 97169066
(3R)-3-methyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 71814981
benzyl 3-(4-acetylphenyl)-3-hydroxyazetidine-1-carboxylate
CID 71680317
1-O-benzyl 3-O-ethyl (3R)-3-phenylpyrrolidine-1,3-dicarboxylate
CID 125479602
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl (2S,3R)-2-amino-5-azaspiro[2.4]heptane-5-carboxylate
CID 97294914

Frequently Asked Questions

What is the IUPAC name of benzyl 3-hydroxy-3-phenylpyrrolidine-1-carboxylate?
The IUPAC name of benzyl 3-hydroxy-3-phenylpyrrolidine-1-carboxylate (CID 14127359) is benzyl 3-hydroxy-3-phenylpyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl 3-hydroxy-3-phenylpyrrolidine-1-carboxylate?
The canonical SMILES for benzyl 3-hydroxy-3-phenylpyrrolidine-1-carboxylate is O=C(OCc1ccccc1)N1CCC(O)(c2ccccc2)C1.
What is the InChIKey of benzyl 3-hydroxy-3-phenylpyrrolidine-1-carboxylate?
The InChIKey is CCZVUFRZIJNXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c20-17(22-13-15-7-3-1-4-8-15)19-12-11-18(21,14-19)16-9-5-2-6-10-16/h1-10,21H,11-14H2.
What are the key properties of benzyl 3-hydroxy-3-phenylpyrrolidine-1-carboxylate?
benzyl 3-hydroxy-3-phenylpyrrolidine-1-carboxylate has a molecular weight of 297.35 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-hydroxy-3-phenylpyrrolidine-1-carboxylate is sourced from PubChem (CID 14127359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).