benzyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate;benzyl N-[(1R,3S)-3-hydroxycyclopentyl]carbamate

C26H34N2O6 — CID 138958096

IUPACbenzyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate;benzyl N-[(1R,3S)-3-hydroxycyclopentyl]carbamate
SMILESO=C(N[C@@H]1CC[C@H](O)C1)OCc1ccccc1.O=C(N[C@H]1CC[C@@H](O)C1)OCc1ccccc1
InChIInChI=1S/2C13H17NO3/c2*15-12-7-6-11(8-12)14-13(16)17-9-10-4-2-1-3-5-10/h2*1-5,11-12,15H,6-9H2,(H,14,16)/t2*11-,12+/m10/s1
InChIKeyGIARHVWQALREHW-FBVLPHPLSA-N
MW470.57 g/mol
LogP3.65
Rot. Bonds6

About benzyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate;benzyl N-[(1R,3S)-3-hydroxycyclopentyl]carbamate

benzyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate;benzyl N-[(1R,3S)-3-hydroxycyclopentyl]carbamate (PubChem CID 138958096) has the molecular formula C26H34N2O6 and a molecular weight of 470.57 g/mol. Its IUPAC name is benzyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate;benzyl N-[(1R,3S)-3-hydroxycyclopentyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate;benzyl N-[(1R,3S)-3-hydroxycyclopentyl]carbamate
PubChem CID138958096
Molecular FormulaC26H34N2O6
Molecular Weight470.57 g/mol
Exact Mass470.24
IUPAC Namebenzyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate;benzyl N-[(1R,3S)-3-hydroxycyclopentyl]carbamate
SMILESO=C(N[C@@H]1CC[C@H](O)C1)OCc1ccccc1.O=C(N[C@H]1CC[C@@H](O)C1)OCc1ccccc1
InChIInChI=1S/2C13H17NO3/c2*15-12-7-6-11(8-12)14-13(16)17-9-10-4-2-1-3-5-10/h2*1-5,11-12,15H,6-9H2,(H,14,16)/t2*11-,12+/m10/s1
InChIKeyGIARHVWQALREHW-FBVLPHPLSA-N
XLogP3.65
TPSA117.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 53.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl N-(3-hydroxycyclohexyl)carbamate
CID 14476840
benzyl N-[(1S,2R)-4-hydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 58822147
benzyl N-[4-hydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 14423415
benzyl N-(3-amino-4-hydroxycyclohexyl)carbamate
CID 130143236
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-(2-hydroxycyclopropyl)carbamate
CID 69099067
2-[(1R,3S)-3-(phenylmethoxycarbonylamino)cyclopentyl]acetic acid
CID 165486263
benzyl N-[(1S,2R,4S,5S)-4,5-dihydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 70892702
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602
benzyl N-[4-[[4-(phenylmethoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
CID 10345017
benzyl N-(4-iodocyclohexyl)carbamate
CID 66569099
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate;benzyl N-[(1R,3S)-3-hydroxycyclopentyl]carbamate?
The IUPAC name of benzyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate;benzyl N-[(1R,3S)-3-hydroxycyclopentyl]carbamate (CID 138958096) is benzyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate;benzyl N-[(1R,3S)-3-hydroxycyclopentyl]carbamate.
What is the SMILES notation for benzyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate;benzyl N-[(1R,3S)-3-hydroxycyclopentyl]carbamate?
The canonical SMILES for benzyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate;benzyl N-[(1R,3S)-3-hydroxycyclopentyl]carbamate is O=C(N[C@@H]1CC[C@H](O)C1)OCc1ccccc1.O=C(N[C@H]1CC[C@@H](O)C1)OCc1ccccc1.
What is the InChIKey of benzyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate;benzyl N-[(1R,3S)-3-hydroxycyclopentyl]carbamate?
The InChIKey is GIARHVWQALREHW-FBVLPHPLSA-N. The full InChI is InChI=1S/2C13H17NO3/c2*15-12-7-6-11(8-12)14-13(16)17-9-10-4-2-1-3-5-10/h2*1-5,11-12,15H,6-9H2,(H,14,16)/t2*11-,12+/m10/s1.
What are the key properties of benzyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate;benzyl N-[(1R,3S)-3-hydroxycyclopentyl]carbamate?
benzyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate;benzyl N-[(1R,3S)-3-hydroxycyclopentyl]carbamate has a molecular weight of 470.57 g/mol, XLogP of 3.65, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate;benzyl N-[(1R,3S)-3-hydroxycyclopentyl]carbamate is sourced from PubChem (CID 138958096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).