benzyl N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]carbamate

C14H19NO5 — CID 58570898

IUPACbenzyl N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]carbamate
SMILESO=C(N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O)OCc1ccccc1
InChIInChI=1S/C14H19NO5/c16-7-10-6-11(13(18)12(10)17)15-14(19)20-8-9-4-2-1-3-5-9/h1-5,10-13,16-18H,6-8H2,(H,15,19)/t10-,11-,12-,13+/m1/s1
InChIKeyQRVKOZWLYTWFPT-LPWJVIDDSA-N
MW281.31 g/mol
LogP0.02
Rot. Bonds4

About benzyl N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]carbamate

benzyl N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]carbamate (PubChem CID 58570898) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is benzyl N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]carbamate
PubChem CID58570898
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Namebenzyl N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]carbamate
SMILESO=C(N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O)OCc1ccccc1
InChIInChI=1S/C14H19NO5/c16-7-10-6-11(13(18)12(10)17)15-14(19)20-8-9-4-2-1-3-5-9/h1-5,10-13,16-18H,6-8H2,(H,15,19)/t10-,11-,12-,13+/m1/s1
InChIKeyQRVKOZWLYTWFPT-LPWJVIDDSA-N
XLogP0.02
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[(1R,2R,4S,5S)-4-(hydroxymethyl)-2-bicyclo[3.1.0]hexanyl]carbamate
CID 101208445
benzyl N-(2-hydroxycyclopropyl)carbamate
CID 69099067
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-[6-(hydroxymethyl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]carbamate
CID 76833271
benzyl N-[(1R,2R)-2-aminocyclobutyl]carbamate
CID 135393121
benzyl N-[(1S,2R)-4-hydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 58822147
benzyl N-[4-hydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 14423415
benzyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate
CID 121451593
benzyl N-[(1S,2S,3S)-2,3-dihydroxycyclohexyl]carbamate
CID 57331884
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-(2-phenylcyclopropyl)carbamate
CID 12682022

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]carbamate?
The IUPAC name of benzyl N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]carbamate (CID 58570898) is benzyl N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]carbamate.
What is the SMILES notation for benzyl N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]carbamate?
The canonical SMILES for benzyl N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]carbamate is O=C(N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]carbamate?
The InChIKey is QRVKOZWLYTWFPT-LPWJVIDDSA-N. The full InChI is InChI=1S/C14H19NO5/c16-7-10-6-11(13(18)12(10)17)15-14(19)20-8-9-4-2-1-3-5-9/h1-5,10-13,16-18H,6-8H2,(H,15,19)/t10-,11-,12-,13+/m1/s1.
What are the key properties of benzyl N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]carbamate?
benzyl N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]carbamate has a molecular weight of 281.31 g/mol, XLogP of 0.02, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]carbamate is sourced from PubChem (CID 58570898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).