tert-butyl N-[(3S,5S)-5-phenylpyrrolidin-3-yl]carbamate

C15H22N2O2 — CID 86325494

IUPACtert-butyl N-[(3S,5S)-5-phenylpyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CN[C@H](c2ccccc2)C1
InChIInChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-12-9-13(16-10-12)11-7-5-4-6-8-11/h4-8,12-13,16H,9-10H2,1-3H3,(H,17,18)/t12-,13-/m0/s1
InChIKeyNYHRWBNVAKQKGY-STQMWFEESA-N
MW262.35 g/mol
LogP2.61
Rot. Bonds2

About tert-butyl N-[(3S,5S)-5-phenylpyrrolidin-3-yl]carbamate

tert-butyl N-[(3S,5S)-5-phenylpyrrolidin-3-yl]carbamate (PubChem CID 86325494) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is tert-butyl N-[(3S,5S)-5-phenylpyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S,5S)-5-phenylpyrrolidin-3-yl]carbamate
PubChem CID86325494
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Nametert-butyl N-[(3S,5S)-5-phenylpyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CN[C@H](c2ccccc2)C1
InChIInChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-12-9-13(16-10-12)11-7-5-4-6-8-11/h4-8,12-13,16H,9-10H2,1-3H3,(H,17,18)/t12-,13-/m0/s1
InChIKeyNYHRWBNVAKQKGY-STQMWFEESA-N
XLogP2.61
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 3217175
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CID 664250
tert-butyl N-((3-(aminomethyl)phenyl)methyl)carbamate
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CID 11659287
Tert-Butyl {(2s)-1-[formyl(Hydroxy)amino]-3-Phenylpropan-2-Yl}carbamate
CID 9835766
N-benzyl-N'-[(1-ethylpyrrolidin-2-yl)methyl]ethanediamide
CID 3156713
N-(1-phenylethyl)-2-(pyrrolidin-1-yl)acetamide
CID 17379650
tert-butyl N-[1-(benzylamino)-3-phenylpropan-2-yl]carbamate
CID 3449857
(1-Hydroxycarbamoylmethyl-2-phenylethyl)carbamic acidtert-butyl ester
CID 44418815
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-benzyl-
CID 199815
tert-butyl N-((2-methylphenyl)methyl)carbamate
CID 826765

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S,5S)-5-phenylpyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S,5S)-5-phenylpyrrolidin-3-yl]carbamate (CID 86325494) is tert-butyl N-[(3S,5S)-5-phenylpyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S,5S)-5-phenylpyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S,5S)-5-phenylpyrrolidin-3-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CN[C@H](c2ccccc2)C1.
What is the InChIKey of tert-butyl N-[(3S,5S)-5-phenylpyrrolidin-3-yl]carbamate?
The InChIKey is NYHRWBNVAKQKGY-STQMWFEESA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-12-9-13(16-10-12)11-7-5-4-6-8-11/h4-8,12-13,16H,9-10H2,1-3H3,(H,17,18)/t12-,13-/m0/s1.
What are the key properties of tert-butyl N-[(3S,5S)-5-phenylpyrrolidin-3-yl]carbamate?
tert-butyl N-[(3S,5S)-5-phenylpyrrolidin-3-yl]carbamate has a molecular weight of 262.35 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S,5S)-5-phenylpyrrolidin-3-yl]carbamate is sourced from PubChem (CID 86325494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).