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

C13H25NO6 — CID 75368028

IUPACN-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]-2-methoxyacetamide
SMILESCOCCOCC1(CNC(=O)COC)C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C13H25NO6/c1-18-3-4-20-9-13(5-10(15)11(16)6-13)8-14-12(17)7-19-2/h10-11,15-16H,3-9H2,1-2H3,(H,14,17)/t10-,11+,13?
InChIKeyNRBIEGWMWQQEQA-QYJAPNMZSA-N
MW291.34 g/mol
LogP-1.09
Rot. Bonds9

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

N-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]-2-methoxyacetamide (PubChem CID 75368028) has the molecular formula C13H25NO6 and a molecular weight of 291.34 g/mol. Its IUPAC name is N-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]-2-methoxyacetamide
PubChem CID75368028
Molecular FormulaC13H25NO6
Molecular Weight291.34 g/mol
Exact Mass291.17
IUPAC NameN-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]-2-methoxyacetamide
SMILESCOCCOCC1(CNC(=O)COC)C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C13H25NO6/c1-18-3-4-20-9-13(5-10(15)11(16)6-13)8-14-12(17)7-19-2/h10-11,15-16H,3-9H2,1-2H3,(H,14,17)/t10-,11+,13?
InChIKeyNRBIEGWMWQQEQA-QYJAPNMZSA-N
XLogP-1.09
TPSA97.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]-2-methoxyacetamide?
The IUPAC name of N-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]-2-methoxyacetamide (CID 75368028) is N-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]-2-methoxyacetamide.
What is the SMILES notation for N-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]-2-methoxyacetamide?
The canonical SMILES for N-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]-2-methoxyacetamide is COCCOCC1(CNC(=O)COC)C[C@@H](O)[C@@H](O)C1.
What is the InChIKey of N-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]-2-methoxyacetamide?
The InChIKey is NRBIEGWMWQQEQA-QYJAPNMZSA-N. The full InChI is InChI=1S/C13H25NO6/c1-18-3-4-20-9-13(5-10(15)11(16)6-13)8-14-12(17)7-19-2/h10-11,15-16H,3-9H2,1-2H3,(H,14,17)/t10-,11+,13?.
What are the key properties of N-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]-2-methoxyacetamide?
N-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]-2-methoxyacetamide has a molecular weight of 291.34 g/mol, XLogP of -1.09, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]-2-methoxyacetamide is sourced from PubChem (CID 75368028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).