tert-butyl N-[1-(4-hydroxyphenyl)pyrrolidin-3-yl]carbamate

C15H22N2O3 — CID 142553553

IUPACtert-butyl N-[1-(4-hydroxyphenyl)pyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(c2ccc(O)cc2)C1
InChIInChI=1S/C15H22N2O3/c1-15(2,3)20-14(19)16-11-8-9-17(10-11)12-4-6-13(18)7-5-12/h4-7,11,18H,8-10H2,1-3H3,(H,16,19)
InChIKeyFOBYIWDULUSZFU-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.50
Rot. Bonds2

About tert-butyl N-[1-(4-hydroxyphenyl)pyrrolidin-3-yl]carbamate

tert-butyl N-[1-(4-hydroxyphenyl)pyrrolidin-3-yl]carbamate (PubChem CID 142553553) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is tert-butyl N-[1-(4-hydroxyphenyl)pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(4-hydroxyphenyl)pyrrolidin-3-yl]carbamate
PubChem CID142553553
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nametert-butyl N-[1-(4-hydroxyphenyl)pyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(c2ccc(O)cc2)C1
InChIInChI=1S/C15H22N2O3/c1-15(2,3)20-14(19)16-11-8-9-17(10-11)12-4-6-13(18)7-5-12/h4-7,11,18H,8-10H2,1-3H3,(H,16,19)
InChIKeyFOBYIWDULUSZFU-UHFFFAOYSA-N
XLogP2.50
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]carbamate
CID 178166297
tert-butyl N-[1-(4-formylphenyl)pyrrolidin-3-yl]carbamate
CID 91755325
tert-butyl N-[1-[4-(aminomethyl)phenyl]pyrrolidin-3-yl]carbamate
CID 44607634
tert-butyl N-[(3S)-1-[4-(aminomethyl)phenyl]pyrrolidin-3-yl]carbamate
CID 34178229
tert-butyl N-[(3S)-1-pyridin-3-ylpyrrolidin-3-yl]carbamate
CID 131747678
tert-butyl N-[(3S)-1-(5-hydroxypyrimidin-2-yl)pyrrolidin-3-yl]carbamate
CID 165437491
methyl 4-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]benzoate
CID 90090878
tert-butyl N-[1-(2-chloro-4-pyridinyl)pyrrolidin-3-yl]carbamate
CID 121204853
tert-butyl N-[(3R)-1-(4-formylphenyl)piperidin-3-yl]carbamate
CID 124678829
tert-butyl N-[(3R)-1-(2-methyl-4-pyridinyl)pyrrolidin-3-yl]carbamate
CID 165092295
tert-butyl N-[(3S)-1-(6-nitro-3-pyridinyl)pyrrolidin-3-yl]carbamate
CID 175930356
tert-butyl N-[(3R)-1-(3-methylphenyl)pyrrolidin-3-yl]carbamate;sulfur dioxide
CID 165075706

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(4-hydroxyphenyl)pyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(4-hydroxyphenyl)pyrrolidin-3-yl]carbamate (CID 142553553) is tert-butyl N-[1-(4-hydroxyphenyl)pyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(4-hydroxyphenyl)pyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(4-hydroxyphenyl)pyrrolidin-3-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(c2ccc(O)cc2)C1.
What is the InChIKey of tert-butyl N-[1-(4-hydroxyphenyl)pyrrolidin-3-yl]carbamate?
The InChIKey is FOBYIWDULUSZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(2,3)20-14(19)16-11-8-9-17(10-11)12-4-6-13(18)7-5-12/h4-7,11,18H,8-10H2,1-3H3,(H,16,19).
What are the key properties of tert-butyl N-[1-(4-hydroxyphenyl)pyrrolidin-3-yl]carbamate?
tert-butyl N-[1-(4-hydroxyphenyl)pyrrolidin-3-yl]carbamate has a molecular weight of 278.35 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(4-hydroxyphenyl)pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 142553553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).