benzyl N-[(1R,2S,3R)-3-hydroxy-8-azabicyclo[3.2.1]octan-2-yl]carbamate

C15H20N2O3 — CID 164821490

IUPACbenzyl N-[(1R,2S,3R)-3-hydroxy-8-azabicyclo[3.2.1]octan-2-yl]carbamate
SMILESO=C(N[C@@H]1[C@H](O)CC2CC[C@H]1N2)OCc1ccccc1
InChIInChI=1S/C15H20N2O3/c18-13-8-11-6-7-12(16-11)14(13)17-15(19)20-9-10-4-2-1-3-5-10/h1-5,11-14,16,18H,6-9H2,(H,17,19)/t11?,12-,13-,14+/m1/s1
InChIKeyZEKLFHBFBHVMDU-CPIKKWJDSA-N
MW276.34 g/mol
LogP1.17
Rot. Bonds3

About benzyl N-[(1R,2S,3R)-3-hydroxy-8-azabicyclo[3.2.1]octan-2-yl]carbamate

benzyl N-[(1R,2S,3R)-3-hydroxy-8-azabicyclo[3.2.1]octan-2-yl]carbamate (PubChem CID 164821490) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is benzyl N-[(1R,2S,3R)-3-hydroxy-8-azabicyclo[3.2.1]octan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1R,2S,3R)-3-hydroxy-8-azabicyclo[3.2.1]octan-2-yl]carbamate
PubChem CID164821490
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Namebenzyl N-[(1R,2S,3R)-3-hydroxy-8-azabicyclo[3.2.1]octan-2-yl]carbamate
SMILESO=C(N[C@@H]1[C@H](O)CC2CC[C@H]1N2)OCc1ccccc1
InChIInChI=1S/C15H20N2O3/c18-13-8-11-6-7-12(16-11)14(13)17-15(19)20-9-10-4-2-1-3-5-10/h1-5,11-14,16,18H,6-9H2,(H,17,19)/t11?,12-,13-,14+/m1/s1
InChIKeyZEKLFHBFBHVMDU-CPIKKWJDSA-N
XLogP1.17
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-(2-azabicyclo[2.1.1]hexan-5-yl)carbamate
CID 122156999
benzyl N-(2-hydroxycyclopropyl)carbamate
CID 69099067
benzyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate;benzyl N-[(1R,3S)-3-hydroxycyclopentyl]carbamate
CID 138958096
benzyl N-[(1S,2R,4S,5S)-4,5-dihydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 70892702
benzyl N-[(1S,2R)-4-hydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 58822147
benzyl N-[4-hydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 14423415
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-(3-hydroxycyclohexyl)carbamate
CID 14476840
benzyl N-(3-azabicyclo[4.1.0]heptan-7-yl)carbamate
CID 117045629
benzyl N-[(1S,2S,3S,4R)-3-ethyl-2-bicyclo[2.2.1]heptanyl]carbamate
CID 171422180
2-[2,6-dihydroxy-5-(phenylmethoxycarbonylamino)piperidin-3-yl]acetic acid
CID 174418689

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1R,2S,3R)-3-hydroxy-8-azabicyclo[3.2.1]octan-2-yl]carbamate?
The IUPAC name of benzyl N-[(1R,2S,3R)-3-hydroxy-8-azabicyclo[3.2.1]octan-2-yl]carbamate (CID 164821490) is benzyl N-[(1R,2S,3R)-3-hydroxy-8-azabicyclo[3.2.1]octan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(1R,2S,3R)-3-hydroxy-8-azabicyclo[3.2.1]octan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(1R,2S,3R)-3-hydroxy-8-azabicyclo[3.2.1]octan-2-yl]carbamate is O=C(N[C@@H]1[C@H](O)CC2CC[C@H]1N2)OCc1ccccc1.
What is the InChIKey of benzyl N-[(1R,2S,3R)-3-hydroxy-8-azabicyclo[3.2.1]octan-2-yl]carbamate?
The InChIKey is ZEKLFHBFBHVMDU-CPIKKWJDSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-13-8-11-6-7-12(16-11)14(13)17-15(19)20-9-10-4-2-1-3-5-10/h1-5,11-14,16,18H,6-9H2,(H,17,19)/t11?,12-,13-,14+/m1/s1.
What are the key properties of benzyl N-[(1R,2S,3R)-3-hydroxy-8-azabicyclo[3.2.1]octan-2-yl]carbamate?
benzyl N-[(1R,2S,3R)-3-hydroxy-8-azabicyclo[3.2.1]octan-2-yl]carbamate has a molecular weight of 276.34 g/mol, XLogP of 1.17, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1R,2S,3R)-3-hydroxy-8-azabicyclo[3.2.1]octan-2-yl]carbamate is sourced from PubChem (CID 164821490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).