tert-butyl (3R)-3-hydroxy-3-phenylpyrrolidine-1-carboxylate

C15H21NO3 — CID 70992618

IUPACtert-butyl (3R)-3-hydroxy-3-phenylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@](O)(c2ccccc2)C1
InChIInChI=1S/C15H21NO3/c1-14(2,3)19-13(17)16-10-9-15(18,11-16)12-7-5-4-6-8-12/h4-8,18H,9-11H2,1-3H3/t15-/m0/s1
InChIKeySUVXRTSOZHJSGE-HNNXBMFYSA-N
MW263.34 g/mol
LogP2.52
Rot. Bonds1

About tert-butyl (3R)-3-hydroxy-3-phenylpyrrolidine-1-carboxylate

tert-butyl (3R)-3-hydroxy-3-phenylpyrrolidine-1-carboxylate (PubChem CID 70992618) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is tert-butyl (3R)-3-hydroxy-3-phenylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-hydroxy-3-phenylpyrrolidine-1-carboxylate
PubChem CID70992618
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nametert-butyl (3R)-3-hydroxy-3-phenylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@](O)(c2ccccc2)C1
InChIInChI=1S/C15H21NO3/c1-14(2,3)19-13(17)16-10-9-15(18,11-16)12-7-5-4-6-8-12/h4-8,18H,9-11H2,1-3H3/t15-/m0/s1
InChIKeySUVXRTSOZHJSGE-HNNXBMFYSA-N
XLogP2.52
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-hydroxy-3-phenylpyrrolidine-1-carboxylate
CID 154734195
tert-butyl 3-(2-chlorophenyl)-3-hydroxypyrrolidine-1-carboxylate
CID 170985255
tert-butyl 3-(3,5-difluorophenyl)-3-hydroxypyrrolidine-1-carboxylate
CID 67403681
2-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-phenylpyrrolidin-3-yl]acetic acid
CID 42544072
benzyl 3-hydroxy-3-phenylpyrrolidine-1-carboxylate
CID 14127359
tert-butyl 3,4-dihydroxy-4-phenylpiperidine-1-carboxylate
CID 20870871
tert-butyl 4-(3-aminophenyl)-4-hydroxypiperidine-1-carboxylate
CID 66712303
tert-butyl 4-ethenyl-4-phenylpiperidine-1-carboxylate
CID 25133272
tert-butyl 7-hydroxy-7-phenyl-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
CID 134231147
tert-butyl (3S)-3-hydroxy-3-[2-(2-hydroxyphenyl)thiophen-3-yl]pyrrolidine-1-carboxylate
CID 124566602
tert-butyl 3-hydroxy-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 71630502
tert-butyl 4-(dimethylcarbamoyl)-4-phenylpiperidine-1-carboxylate
CID 158985906

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-hydroxy-3-phenylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-hydroxy-3-phenylpyrrolidine-1-carboxylate (CID 70992618) is tert-butyl (3R)-3-hydroxy-3-phenylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-hydroxy-3-phenylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-hydroxy-3-phenylpyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@@](O)(c2ccccc2)C1.
What is the InChIKey of tert-butyl (3R)-3-hydroxy-3-phenylpyrrolidine-1-carboxylate?
The InChIKey is SUVXRTSOZHJSGE-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-14(2,3)19-13(17)16-10-9-15(18,11-16)12-7-5-4-6-8-12/h4-8,18H,9-11H2,1-3H3/t15-/m0/s1.
What are the key properties of tert-butyl (3R)-3-hydroxy-3-phenylpyrrolidine-1-carboxylate?
tert-butyl (3R)-3-hydroxy-3-phenylpyrrolidine-1-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-hydroxy-3-phenylpyrrolidine-1-carboxylate is sourced from PubChem (CID 70992618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).