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

C14H25NO5 — CID 75368025

IUPACN-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]cyclopropanecarboxamide
SMILESCOCCOCC1(CNC(=O)C2CC2)C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C14H25NO5/c1-19-4-5-20-9-14(6-11(16)12(17)7-14)8-15-13(18)10-2-3-10/h10-12,16-17H,2-9H2,1H3,(H,15,18)/t11-,12+,14?
InChIKeyHUTOHYICWDGSEO-ONXXMXGDSA-N
MW287.36 g/mol
LogP-0.32
Rot. Bonds8

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

N-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]cyclopropanecarboxamide (PubChem CID 75368025) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]cyclopropanecarboxamide
PubChem CID75368025
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC NameN-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]cyclopropanecarboxamide
SMILESCOCCOCC1(CNC(=O)C2CC2)C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C14H25NO5/c1-19-4-5-20-9-14(6-11(16)12(17)7-14)8-15-13(18)10-2-3-10/h10-12,16-17H,2-9H2,1H3,(H,15,18)/t11-,12+,14?
InChIKeyHUTOHYICWDGSEO-ONXXMXGDSA-N
XLogP-0.32
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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]cyclopropanecarboxamide?
The IUPAC name of N-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]cyclopropanecarboxamide (CID 75368025) is N-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]cyclopropanecarboxamide is COCCOCC1(CNC(=O)C2CC2)C[C@@H](O)[C@@H](O)C1.
What is the InChIKey of N-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]cyclopropanecarboxamide?
The InChIKey is HUTOHYICWDGSEO-ONXXMXGDSA-N. The full InChI is InChI=1S/C14H25NO5/c1-19-4-5-20-9-14(6-11(16)12(17)7-14)8-15-13(18)10-2-3-10/h10-12,16-17H,2-9H2,1H3,(H,15,18)/t11-,12+,14?.
What are the key properties of N-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]cyclopropanecarboxamide?
N-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]cyclopropanecarboxamide has a molecular weight of 287.36 g/mol, XLogP of -0.32, 8 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]cyclopropanecarboxamide is sourced from PubChem (CID 75368025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).