benzyl N-[(1R,5R,6S)-3-azabicyclo[4.2.0]octan-5-yl]carbamate

C15H20N2O2 — CID 164556146

IUPACbenzyl N-[(1R,5R,6S)-3-azabicyclo[4.2.0]octan-5-yl]carbamate
SMILESO=C(N[C@H]1CNC[C@@H]2CC[C@@H]21)OCc1ccccc1
InChIInChI=1S/C15H20N2O2/c18-15(19-10-11-4-2-1-3-5-11)17-14-9-16-8-12-6-7-13(12)14/h1-5,12-14,16H,6-10H2,(H,17,18)/t12-,13-,14-/m0/s1
InChIKeyGQIPVZDLYGKQEJ-IHRRRGAJSA-N
MW260.34 g/mol
LogP1.91
Rot. Bonds3

About benzyl N-[(1R,5R,6S)-3-azabicyclo[4.2.0]octan-5-yl]carbamate

benzyl N-[(1R,5R,6S)-3-azabicyclo[4.2.0]octan-5-yl]carbamate (PubChem CID 164556146) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is benzyl N-[(1R,5R,6S)-3-azabicyclo[4.2.0]octan-5-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1R,5R,6S)-3-azabicyclo[4.2.0]octan-5-yl]carbamate
PubChem CID164556146
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Namebenzyl N-[(1R,5R,6S)-3-azabicyclo[4.2.0]octan-5-yl]carbamate
SMILESO=C(N[C@H]1CNC[C@@H]2CC[C@@H]21)OCc1ccccc1
InChIInChI=1S/C15H20N2O2/c18-15(19-10-11-4-2-1-3-5-11)17-14-9-16-8-12-6-7-13(12)14/h1-5,12-14,16H,6-10H2,(H,17,18)/t12-,13-,14-/m0/s1
InChIKeyGQIPVZDLYGKQEJ-IHRRRGAJSA-N
XLogP1.91
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 165350458
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benzyl N-[(3S,4R)-4-methylpiperidin-3-yl]carbamate
CID 97357162
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602
benzyl N-[(3S,4R)-3-aminopiperidin-4-yl]carbamate
CID 118048951
benzyl N-(2-hydroxycyclopropyl)carbamate
CID 69099067
2-(phenylmethoxycarbonylamino)bicyclo[3.1.0]hexane-6-carboxylic acid
CID 165449156
benzyl N-(3-azabicyclo[4.1.0]heptan-7-yl)carbamate
CID 117045629
benzyl N-(6-hydroxy-2-bicyclo[3.3.1]nonanyl)carbamate
CID 68556132
benzyl N-[(1R,2R)-2-aminocyclobutyl]carbamate
CID 135393121
benzyl N-[(1S,2R,4S,5S)-4,5-dihydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 70892702

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1R,5R,6S)-3-azabicyclo[4.2.0]octan-5-yl]carbamate?
The IUPAC name of benzyl N-[(1R,5R,6S)-3-azabicyclo[4.2.0]octan-5-yl]carbamate (CID 164556146) is benzyl N-[(1R,5R,6S)-3-azabicyclo[4.2.0]octan-5-yl]carbamate.
What is the SMILES notation for benzyl N-[(1R,5R,6S)-3-azabicyclo[4.2.0]octan-5-yl]carbamate?
The canonical SMILES for benzyl N-[(1R,5R,6S)-3-azabicyclo[4.2.0]octan-5-yl]carbamate is O=C(N[C@H]1CNC[C@@H]2CC[C@@H]21)OCc1ccccc1.
What is the InChIKey of benzyl N-[(1R,5R,6S)-3-azabicyclo[4.2.0]octan-5-yl]carbamate?
The InChIKey is GQIPVZDLYGKQEJ-IHRRRGAJSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-15(19-10-11-4-2-1-3-5-11)17-14-9-16-8-12-6-7-13(12)14/h1-5,12-14,16H,6-10H2,(H,17,18)/t12-,13-,14-/m0/s1.
What are the key properties of benzyl N-[(1R,5R,6S)-3-azabicyclo[4.2.0]octan-5-yl]carbamate?
benzyl N-[(1R,5R,6S)-3-azabicyclo[4.2.0]octan-5-yl]carbamate has a molecular weight of 260.34 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1R,5R,6S)-3-azabicyclo[4.2.0]octan-5-yl]carbamate is sourced from PubChem (CID 164556146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).