benzyl N-[(1R,2R)-2-hydroxycyclopentyl]carbamate

C13H17NO3 — CID 10376777

IUPACbenzyl N-[(1R,2R)-2-hydroxycyclopentyl]carbamate
SMILESO=C(N[C@@H]1CCC[C@H]1O)OCc1ccccc1
InChIInChI=1S/C13H17NO3/c15-12-8-4-7-11(12)14-13(16)17-9-10-5-2-1-3-6-10/h1-3,5-6,11-12,15H,4,7-9H2,(H,14,16)/t11-,12-/m1/s1
InChIKeyNPXGDPYTWXXJKU-VXGBXAGGSA-N
MW235.28 g/mol
LogP1.83
Rot. Bonds3

About benzyl N-[(1R,2R)-2-hydroxycyclopentyl]carbamate

benzyl N-[(1R,2R)-2-hydroxycyclopentyl]carbamate (PubChem CID 10376777) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is benzyl N-[(1R,2R)-2-hydroxycyclopentyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1R,2R)-2-hydroxycyclopentyl]carbamate
PubChem CID10376777
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Namebenzyl N-[(1R,2R)-2-hydroxycyclopentyl]carbamate
SMILESO=C(N[C@@H]1CCC[C@H]1O)OCc1ccccc1
InChIInChI=1S/C13H17NO3/c15-12-8-4-7-11(12)14-13(16)17-9-10-5-2-1-3-6-10/h1-3,5-6,11-12,15H,4,7-9H2,(H,14,16)/t11-,12-/m1/s1
InChIKeyNPXGDPYTWXXJKU-VXGBXAGGSA-N
XLogP1.83
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1R,2R)-2-hydroxycyclopentyl]carbamate?
The IUPAC name of benzyl N-[(1R,2R)-2-hydroxycyclopentyl]carbamate (CID 10376777) is benzyl N-[(1R,2R)-2-hydroxycyclopentyl]carbamate.
What is the SMILES notation for benzyl N-[(1R,2R)-2-hydroxycyclopentyl]carbamate?
The canonical SMILES for benzyl N-[(1R,2R)-2-hydroxycyclopentyl]carbamate is O=C(N[C@@H]1CCC[C@H]1O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(1R,2R)-2-hydroxycyclopentyl]carbamate?
The InChIKey is NPXGDPYTWXXJKU-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H17NO3/c15-12-8-4-7-11(12)14-13(16)17-9-10-5-2-1-3-6-10/h1-3,5-6,11-12,15H,4,7-9H2,(H,14,16)/t11-,12-/m1/s1.
What are the key properties of benzyl N-[(1R,2R)-2-hydroxycyclopentyl]carbamate?
benzyl N-[(1R,2R)-2-hydroxycyclopentyl]carbamate has a molecular weight of 235.28 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1R,2R)-2-hydroxycyclopentyl]carbamate is sourced from PubChem (CID 10376777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).