[(3R,5S)-5-ethoxyoxolan-3-yl]methyl N-acetyl-N-(pyridin-2-ylmethyl)carbamate

C16H22N2O5 — CID 70364492

IUPAC[(3R,5S)-5-ethoxyoxolan-3-yl]methyl N-acetyl-N-(pyridin-2-ylmethyl)carbamate
SMILESCCO[C@@H]1C[C@@H](COC(=O)N(Cc2ccccn2)C(C)=O)CO1
InChIInChI=1S/C16H22N2O5/c1-3-21-15-8-13(10-22-15)11-23-16(20)18(12(2)19)9-14-6-4-5-7-17-14/h4-7,13,15H,3,8-11H2,1-2H3/t13-,15+/m1/s1
InChIKeyUEZUFSMRERAPCU-HIFRSBDPSA-N
MW322.36 g/mol
LogP1.97
Rot. Bonds6

About [(3R,5S)-5-ethoxyoxolan-3-yl]methyl N-acetyl-N-(pyridin-2-ylmethyl)carbamate

[(3R,5S)-5-ethoxyoxolan-3-yl]methyl N-acetyl-N-(pyridin-2-ylmethyl)carbamate (PubChem CID 70364492) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is [(3R,5S)-5-ethoxyoxolan-3-yl]methyl N-acetyl-N-(pyridin-2-ylmethyl)carbamate.

Molecular Properties

Compound Name[(3R,5S)-5-ethoxyoxolan-3-yl]methyl N-acetyl-N-(pyridin-2-ylmethyl)carbamate
PubChem CID70364492
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Name[(3R,5S)-5-ethoxyoxolan-3-yl]methyl N-acetyl-N-(pyridin-2-ylmethyl)carbamate
SMILESCCO[C@@H]1C[C@@H](COC(=O)N(Cc2ccccn2)C(C)=O)CO1
InChIInChI=1S/C16H22N2O5/c1-3-21-15-8-13(10-22-15)11-23-16(20)18(12(2)19)9-14-6-4-5-7-17-14/h4-7,13,15H,3,8-11H2,1-2H3/t13-,15+/m1/s1
InChIKeyUEZUFSMRERAPCU-HIFRSBDPSA-N
XLogP1.97
TPSA77.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R,4S)-4-(hexadecoxymethyl)oxetan-2-yl]methyl N-acetyl-N-(pyridin-2-ylmethyl)carbamate
CID 70341365
[(2R,4R)-4-(hexadecoxymethyl)thietan-2-yl]methyl N-acetyl-N-(pyridin-2-ylmethyl)carbamate
CID 70341830
[5-(3,3-diphenylpropoxy)oxolan-3-yl]methyl N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide
CID 15123181
[(2R,4S)-4-(octadecylcarbamoyloxymethyl)thietan-2-yl]methyl N-acetyl-N-(pyridin-2-ylmethyl)carbamate
CID 70341859
2-[2-[acetyl(pyridin-2-ylmethyl)carbamoyl]oxyethoxy]ethyl 2,2-dimethylpropanoate
CID 19886461
ethyl N-cyclopropyl-N-(pyridin-2-ylmethyl)carbamate
CID 60665020
2-[2-(pentadecylcarbamoyloxy)ethoxy]ethyl N-acetyl-N-(pyridin-2-ylmethyl)carbamate
CID 19886489
[(2R,4R)-4-(octadecoxymethyl)oxolan-2-yl]methyl N-acetyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]carbamate
CID 67903416
N-cyclopropyl-N-(pyridin-2-ylmethyl)propanamide
CID 60668331
oxan-4-yl N-ethyl-N-(pyridin-2-ylmethyl)carbamate
CID 100763280
ethyl (2R)-2-amino-3-pyridin-2-ylpropanoate
CID 57496737
cis-(1S,3R)-3-ethoxy-N,2,2-trimethyl-N-(pyridin-2-ylmethyl)cyclobutan-1-amine
CID 97029399

Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-5-ethoxyoxolan-3-yl]methyl N-acetyl-N-(pyridin-2-ylmethyl)carbamate?
The IUPAC name of [(3R,5S)-5-ethoxyoxolan-3-yl]methyl N-acetyl-N-(pyridin-2-ylmethyl)carbamate (CID 70364492) is [(3R,5S)-5-ethoxyoxolan-3-yl]methyl N-acetyl-N-(pyridin-2-ylmethyl)carbamate.
What is the SMILES notation for [(3R,5S)-5-ethoxyoxolan-3-yl]methyl N-acetyl-N-(pyridin-2-ylmethyl)carbamate?
The canonical SMILES for [(3R,5S)-5-ethoxyoxolan-3-yl]methyl N-acetyl-N-(pyridin-2-ylmethyl)carbamate is CCO[C@@H]1C[C@@H](COC(=O)N(Cc2ccccn2)C(C)=O)CO1.
What is the InChIKey of [(3R,5S)-5-ethoxyoxolan-3-yl]methyl N-acetyl-N-(pyridin-2-ylmethyl)carbamate?
The InChIKey is UEZUFSMRERAPCU-HIFRSBDPSA-N. The full InChI is InChI=1S/C16H22N2O5/c1-3-21-15-8-13(10-22-15)11-23-16(20)18(12(2)19)9-14-6-4-5-7-17-14/h4-7,13,15H,3,8-11H2,1-2H3/t13-,15+/m1/s1.
What are the key properties of [(3R,5S)-5-ethoxyoxolan-3-yl]methyl N-acetyl-N-(pyridin-2-ylmethyl)carbamate?
[(3R,5S)-5-ethoxyoxolan-3-yl]methyl N-acetyl-N-(pyridin-2-ylmethyl)carbamate has a molecular weight of 322.36 g/mol, XLogP of 1.97, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-5-ethoxyoxolan-3-yl]methyl N-acetyl-N-(pyridin-2-ylmethyl)carbamate is sourced from PubChem (CID 70364492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).