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

C14H19NO3 — CID 124634239

IUPACbenzyl N-[[(1R,3S)-3-hydroxycyclopentyl]methyl]carbamate
SMILESO=C(NC[C@@H]1CC[C@H](O)C1)OCc1ccccc1
InChIInChI=1S/C14H19NO3/c16-13-7-6-12(8-13)9-15-14(17)18-10-11-4-2-1-3-5-11/h1-5,12-13,16H,6-10H2,(H,15,17)/t12-,13+/m1/s1
InChIKeyYIKGCGVKXMVDMH-OLZOCXBDSA-N
MW249.31 g/mol
LogP2.07
Rot. Bonds4

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

benzyl N-[[(1R,3S)-3-hydroxycyclopentyl]methyl]carbamate (PubChem CID 124634239) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is benzyl N-[[(1R,3S)-3-hydroxycyclopentyl]methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[[(1R,3S)-3-hydroxycyclopentyl]methyl]carbamate
PubChem CID124634239
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namebenzyl N-[[(1R,3S)-3-hydroxycyclopentyl]methyl]carbamate
SMILESO=C(NC[C@@H]1CC[C@H](O)C1)OCc1ccccc1
InChIInChI=1S/C14H19NO3/c16-13-7-6-12(8-13)9-15-14(17)18-10-11-4-2-1-3-5-11/h1-5,12-13,16H,6-10H2,(H,15,17)/t12-,13+/m1/s1
InChIKeyYIKGCGVKXMVDMH-OLZOCXBDSA-N
XLogP2.07
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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benzyl N-[[4-(phenylcarbamoyl)cyclohexyl]methyl]carbamate
CID 69455097
benzyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate;benzyl N-[(1R,3S)-3-hydroxycyclopentyl]carbamate
CID 138958096
N-[(3-hydroxycyclopentyl)methyl]-3-phenylpropanamide
CID 103279802
benzyl N-[(1S,2R)-4-hydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 58822147
benzyl N-[4-hydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
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CID 118798557

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[(1R,3S)-3-hydroxycyclopentyl]methyl]carbamate?
The IUPAC name of benzyl N-[[(1R,3S)-3-hydroxycyclopentyl]methyl]carbamate (CID 124634239) is benzyl N-[[(1R,3S)-3-hydroxycyclopentyl]methyl]carbamate.
What is the SMILES notation for benzyl N-[[(1R,3S)-3-hydroxycyclopentyl]methyl]carbamate?
The canonical SMILES for benzyl N-[[(1R,3S)-3-hydroxycyclopentyl]methyl]carbamate is O=C(NC[C@@H]1CC[C@H](O)C1)OCc1ccccc1.
What is the InChIKey of benzyl N-[[(1R,3S)-3-hydroxycyclopentyl]methyl]carbamate?
The InChIKey is YIKGCGVKXMVDMH-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H19NO3/c16-13-7-6-12(8-13)9-15-14(17)18-10-11-4-2-1-3-5-11/h1-5,12-13,16H,6-10H2,(H,15,17)/t12-,13+/m1/s1.
What are the key properties of benzyl N-[[(1R,3S)-3-hydroxycyclopentyl]methyl]carbamate?
benzyl N-[[(1R,3S)-3-hydroxycyclopentyl]methyl]carbamate has a molecular weight of 249.31 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[(1R,3S)-3-hydroxycyclopentyl]methyl]carbamate is sourced from PubChem (CID 124634239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).