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

C13H17NO3 — CID 11075389

IUPACbenzyl N-[(1S,2S)-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-/m0/s1
InChIKeyNPXGDPYTWXXJKU-RYUDHWBXSA-N
MW235.28 g/mol
LogP1.83
Rot. Bonds3

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

benzyl N-[(1S,2S)-2-hydroxycyclopentyl]carbamate (PubChem CID 11075389) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is benzyl N-[(1S,2S)-2-hydroxycyclopentyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1S,2S)-2-hydroxycyclopentyl]carbamate
PubChem CID11075389
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Namebenzyl N-[(1S,2S)-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-/m0/s1
InChIKeyNPXGDPYTWXXJKU-RYUDHWBXSA-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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Related Compounds

benzyl N-(2-hydroxyethyl)carbamate
CID 280458
N-carbobenzoxy-L-phenylalanilol
CID 853481
5-Phenyl-1,3-oxazolidin-2-one
CID 202193
Carbamic acid, N-(1-benzyl-2-hydroxyethyl)-, benzyl ester
CID 52361
epsilon-(Benzyloxycarbonyl)-L-lysine
CID 1715626
5-(Carbobenzoxyamino)valeric acid
CID 3690024
Z-D-Prolinol
CID 5314177
N-alpha-Benzyloxycarbonyl-L-lysine
CID 75172
(5S)-5-phenyl-1,3-oxazolidin-2-one
CID 10855806
benzyl N-((2S)-1-hydroxypropan-2-yl)carbamate
CID 10262499
benzyl N-((2S)-1-hydroxybutan-2-yl)carbamate
CID 10263004
Benzyl hydrogen (1-hydroxy-3-phenylpropan-2-yl)carbonimidate
CID 736170

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1S,2S)-2-hydroxycyclopentyl]carbamate?
The IUPAC name of benzyl N-[(1S,2S)-2-hydroxycyclopentyl]carbamate (CID 11075389) is benzyl N-[(1S,2S)-2-hydroxycyclopentyl]carbamate.
What is the SMILES notation for benzyl N-[(1S,2S)-2-hydroxycyclopentyl]carbamate?
The canonical SMILES for benzyl N-[(1S,2S)-2-hydroxycyclopentyl]carbamate is O=C(N[C@H]1CCC[C@@H]1O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(1S,2S)-2-hydroxycyclopentyl]carbamate?
The InChIKey is NPXGDPYTWXXJKU-RYUDHWBXSA-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-/m0/s1.
What are the key properties of benzyl N-[(1S,2S)-2-hydroxycyclopentyl]carbamate?
benzyl N-[(1S,2S)-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-[(1S,2S)-2-hydroxycyclopentyl]carbamate is sourced from PubChem (CID 11075389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).