N-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]acetamide

C12H23NO5 — CID 75368022

IUPACN-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]acetamide
SMILESCOCCOCC1(CNC(C)=O)C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C12H23NO5/c1-9(14)13-7-12(8-18-4-3-17-2)5-10(15)11(16)6-12/h10-11,15-16H,3-8H2,1-2H3,(H,13,14)/t10-,11+,12?
InChIKeyDSWZPLOBJBUJDG-FOSCPWQOSA-N
MW261.32 g/mol
LogP-0.71
Rot. Bonds7

About N-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]acetamide

N-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]acetamide (PubChem CID 75368022) has the molecular formula C12H23NO5 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]acetamide
PubChem CID75368022
Molecular FormulaC12H23NO5
Molecular Weight261.32 g/mol
Exact Mass261.16
IUPAC NameN-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]acetamide
SMILESCOCCOCC1(CNC(C)=O)C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C12H23NO5/c1-9(14)13-7-12(8-18-4-3-17-2)5-10(15)11(16)6-12/h10-11,15-16H,3-8H2,1-2H3,(H,13,14)/t10-,11+,12?
InChIKeyDSWZPLOBJBUJDG-FOSCPWQOSA-N
XLogP-0.71
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]acetamide?
The IUPAC name of N-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]acetamide (CID 75368022) is N-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]acetamide.
What is the SMILES notation for N-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]acetamide?
The canonical SMILES for N-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]acetamide is COCCOCC1(CNC(C)=O)C[C@@H](O)[C@@H](O)C1.
What is the InChIKey of N-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]acetamide?
The InChIKey is DSWZPLOBJBUJDG-FOSCPWQOSA-N. The full InChI is InChI=1S/C12H23NO5/c1-9(14)13-7-12(8-18-4-3-17-2)5-10(15)11(16)6-12/h10-11,15-16H,3-8H2,1-2H3,(H,13,14)/t10-,11+,12?.
What are the key properties of N-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]acetamide?
N-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]acetamide has a molecular weight of 261.32 g/mol, XLogP of -0.71, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]acetamide is sourced from PubChem (CID 75368022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).