tert-butyl N-phenyl-N-[(3S)-pyrrolidin-3-yl]carbamate

C15H22N2O2 — CID 129353875

IUPACtert-butyl N-phenyl-N-[(3S)-pyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N(c1ccccc1)[C@H]1CCNC1
InChIInChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17(13-9-10-16-11-13)12-7-5-4-6-8-12/h4-8,13,16H,9-11H2,1-3H3/t13-/m0/s1
InChIKeyLCSKCDZEAYEEPR-ZDUSSCGKSA-N
MW262.35 g/mol
LogP2.79
Rot. Bonds2

About tert-butyl N-phenyl-N-[(3S)-pyrrolidin-3-yl]carbamate

tert-butyl N-phenyl-N-[(3S)-pyrrolidin-3-yl]carbamate (PubChem CID 129353875) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is tert-butyl N-phenyl-N-[(3S)-pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-phenyl-N-[(3S)-pyrrolidin-3-yl]carbamate
PubChem CID129353875
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Nametert-butyl N-phenyl-N-[(3S)-pyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N(c1ccccc1)[C@H]1CCNC1
InChIInChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17(13-9-10-16-11-13)12-7-5-4-6-8-12/h4-8,13,16H,9-11H2,1-3H3/t13-/m0/s1
InChIKeyLCSKCDZEAYEEPR-ZDUSSCGKSA-N
XLogP2.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(azepan-3-yl)-N-phenylcarbamate
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tert-butyl N-(3-amino-4-pyridinyl)-N-pyrrolidin-3-ylcarbamate
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tert-butyl N-benzyl-N-piperidin-3-ylcarbamate
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tert-butyl N-cyclobutyl-N-[(3R)-pyrrolidin-3-yl]carbamate
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tert-butyl N-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]carbamate
CID 66569336
2-phenoxy-N-phenyl-N-[(3S)-pyrrolidin-3-yl]benzamide
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tert-butyl N-benzyl-N-[(3S,4S)-4-methoxypiperidin-3-yl]carbamate
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tert-butyl N-(2-chloro-7-methylquinazolin-4-yl)-N-pyrrolidin-3-ylcarbamate
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ethyl (E)-3-[6-[(2-methylpropan-2-yl)oxycarbonyl-[(3R)-pyrrolidin-3-yl]amino]-3-pyridinyl]prop-2-enoate;dihydrochloride
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CID 67191248

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-phenyl-N-[(3S)-pyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-phenyl-N-[(3S)-pyrrolidin-3-yl]carbamate (CID 129353875) is tert-butyl N-phenyl-N-[(3S)-pyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-phenyl-N-[(3S)-pyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-phenyl-N-[(3S)-pyrrolidin-3-yl]carbamate is CC(C)(C)OC(=O)N(c1ccccc1)[C@H]1CCNC1.
What is the InChIKey of tert-butyl N-phenyl-N-[(3S)-pyrrolidin-3-yl]carbamate?
The InChIKey is LCSKCDZEAYEEPR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17(13-9-10-16-11-13)12-7-5-4-6-8-12/h4-8,13,16H,9-11H2,1-3H3/t13-/m0/s1.
What are the key properties of tert-butyl N-phenyl-N-[(3S)-pyrrolidin-3-yl]carbamate?
tert-butyl N-phenyl-N-[(3S)-pyrrolidin-3-yl]carbamate has a molecular weight of 262.35 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-phenyl-N-[(3S)-pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 129353875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).