[2-hydroxy-4-[[2-[3-(methoxymethyl)phenoxy]acetyl]amino]-1-bicyclo[2.2.2]octanyl]carbamic acid

C19H26N2O6 — CID 155285852

IUPAC[2-hydroxy-4-[[2-[3-(methoxymethyl)phenoxy]acetyl]amino]-1-bicyclo[2.2.2]octanyl]carbamic acid
SMILESCOCc1cccc(OCC(=O)NC23CCC(NC(=O)O)(CC2)C(O)C3)c1
InChIInChI=1S/C19H26N2O6/c1-26-11-13-3-2-4-14(9-13)27-12-16(23)20-18-5-7-19(8-6-18,15(22)10-18)21-17(24)25/h2-4,9,15,21-22H,5-8,10-12H2,1H3,(H,20,23)(H,24,25)
InChIKeyLWBARYPDJMDDPS-UHFFFAOYSA-N
MW378.43 g/mol
LogP1.41
Rot. Bonds7

About [2-hydroxy-4-[[2-[3-(methoxymethyl)phenoxy]acetyl]amino]-1-bicyclo[2.2.2]octanyl]carbamic acid

[2-hydroxy-4-[[2-[3-(methoxymethyl)phenoxy]acetyl]amino]-1-bicyclo[2.2.2]octanyl]carbamic acid (PubChem CID 155285852) has the molecular formula C19H26N2O6 and a molecular weight of 378.43 g/mol. Its IUPAC name is [2-hydroxy-4-[[2-[3-(methoxymethyl)phenoxy]acetyl]amino]-1-bicyclo[2.2.2]octanyl]carbamic acid.

Molecular Properties

Compound Name[2-hydroxy-4-[[2-[3-(methoxymethyl)phenoxy]acetyl]amino]-1-bicyclo[2.2.2]octanyl]carbamic acid
PubChem CID155285852
Molecular FormulaC19H26N2O6
Molecular Weight378.43 g/mol
Exact Mass378.18
IUPAC Name[2-hydroxy-4-[[2-[3-(methoxymethyl)phenoxy]acetyl]amino]-1-bicyclo[2.2.2]octanyl]carbamic acid
SMILESCOCc1cccc(OCC(=O)NC23CCC(NC(=O)O)(CC2)C(O)C3)c1
InChIInChI=1S/C19H26N2O6/c1-26-11-13-3-2-4-14(9-13)27-12-16(23)20-18-5-7-19(8-6-18,15(22)10-18)21-17(24)25/h2-4,9,15,21-22H,5-8,10-12H2,1H3,(H,20,23)(H,24,25)
InChIKeyLWBARYPDJMDDPS-UHFFFAOYSA-N
XLogP1.41
TPSA117.12 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze [2-hydroxy-4-[[2-[3-(methoxymethyl)phenoxy]acetyl]amino]-1-bicyclo[2.2.2]octanyl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[[2-[3-(difluoromethyl)-4-fluorophenoxy]acetyl]amino]-2-hydroxy-1-bicyclo[2.2.2]octanyl]carbamic acid
CID 155285798
2-(3,4-difluorophenoxy)-N-[(3S)-4-[[2-(3,4-difluorophenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]acetamide
CID 142585841
N-[(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-hydroxy-1-bicyclo[2.2.2]octanyl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 155092860
2-(4-chloro-3-fluorophenoxy)-N-[(2S)-2-hydroxy-4-[[2-[(6-methoxy-2-pyridinyl)oxy]acetyl]amino]-1-bicyclo[2.2.2]octanyl]acetamide
CID 142585690
2-[4-chloro-3-(hydroxymethyl)phenoxy]-N-[(3R)-4-[[2-[4-chloro-3-(hydroxymethyl)phenoxy]acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]acetamide
CID 154699002
2-(4-chloro-3-fluorophenoxy)-N-[(3R)-4-[[2-(3-ethyl-5-methylphenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]acetamide
CID 163204062
N-[(3R)-3-hydroxy-4-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]-1-bicyclo[2.2.2]octanyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 154698971
N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-2-(4-chloro-3-fluorophenyl)acetamide
CID 142585679
N-[(3R)-3-hydroxy-4-[[2-[(3-methyl-2H-indazol-6-yl)oxy]acetyl]amino]-1-bicyclo[2.2.2]octanyl]-2-(4-methylphenoxy)acetamide
CID 154699043
N-[(3S)-4-[[2-(4-fluoro-3-methylphenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-2-[3-fluoro-4-(trifluoromethyl)phenoxy]acetamide
CID 155303010
N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-2-(4-fluorophenoxy)acetamide
CID 142585754
N-[(3S)-4-[[2-(3-chlorophenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-3-(difluoromethyl)-1,2-oxazole-5-carboxamide
CID 142586252

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-4-[[2-[3-(methoxymethyl)phenoxy]acetyl]amino]-1-bicyclo[2.2.2]octanyl]carbamic acid?
The IUPAC name of [2-hydroxy-4-[[2-[3-(methoxymethyl)phenoxy]acetyl]amino]-1-bicyclo[2.2.2]octanyl]carbamic acid (CID 155285852) is [2-hydroxy-4-[[2-[3-(methoxymethyl)phenoxy]acetyl]amino]-1-bicyclo[2.2.2]octanyl]carbamic acid.
What is the SMILES notation for [2-hydroxy-4-[[2-[3-(methoxymethyl)phenoxy]acetyl]amino]-1-bicyclo[2.2.2]octanyl]carbamic acid?
The canonical SMILES for [2-hydroxy-4-[[2-[3-(methoxymethyl)phenoxy]acetyl]amino]-1-bicyclo[2.2.2]octanyl]carbamic acid is COCc1cccc(OCC(=O)NC23CCC(NC(=O)O)(CC2)C(O)C3)c1.
What is the InChIKey of [2-hydroxy-4-[[2-[3-(methoxymethyl)phenoxy]acetyl]amino]-1-bicyclo[2.2.2]octanyl]carbamic acid?
The InChIKey is LWBARYPDJMDDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O6/c1-26-11-13-3-2-4-14(9-13)27-12-16(23)20-18-5-7-19(8-6-18,15(22)10-18)21-17(24)25/h2-4,9,15,21-22H,5-8,10-12H2,1H3,(H,20,23)(H,24,25).
What are the key properties of [2-hydroxy-4-[[2-[3-(methoxymethyl)phenoxy]acetyl]amino]-1-bicyclo[2.2.2]octanyl]carbamic acid?
[2-hydroxy-4-[[2-[3-(methoxymethyl)phenoxy]acetyl]amino]-1-bicyclo[2.2.2]octanyl]carbamic acid has a molecular weight of 378.43 g/mol, XLogP of 1.41, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-4-[[2-[3-(methoxymethyl)phenoxy]acetyl]amino]-1-bicyclo[2.2.2]octanyl]carbamic acid is sourced from PubChem (CID 155285852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).