N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]hexanamide

C13H25NO4 — CID 58543416

IUPACN-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]hexanamide
SMILESCCCCCC(=O)NC[C@H]1C[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C13H25NO4/c1-2-3-4-5-11(16)14-7-9-6-10(8-15)13(18)12(9)17/h9-10,12-13,15,17-18H,2-8H2,1H3,(H,14,16)/t9-,10-,12-,13-/m1/s1
InChIKeyWYPHGEBIPRKPAU-FPQZTECRSA-N
MW259.35 g/mol
LogP0.03
Rot. Bonds7

About N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]hexanamide

N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]hexanamide (PubChem CID 58543416) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]hexanamide.

Molecular Properties

Compound NameN-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]hexanamide
PubChem CID58543416
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC NameN-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]hexanamide
SMILESCCCCCC(=O)NC[C@H]1C[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C13H25NO4/c1-2-3-4-5-11(16)14-7-9-6-10(8-15)13(18)12(9)17/h9-10,12-13,15,17-18H,2-8H2,1H3,(H,14,16)/t9-,10-,12-,13-/m1/s1
InChIKeyWYPHGEBIPRKPAU-FPQZTECRSA-N
XLogP0.03
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 50.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]hexanamide?
The IUPAC name of N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]hexanamide (CID 58543416) is N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]hexanamide.
What is the SMILES notation for N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]hexanamide?
The canonical SMILES for N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]hexanamide is CCCCCC(=O)NC[C@H]1C[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]hexanamide?
The InChIKey is WYPHGEBIPRKPAU-FPQZTECRSA-N. The full InChI is InChI=1S/C13H25NO4/c1-2-3-4-5-11(16)14-7-9-6-10(8-15)13(18)12(9)17/h9-10,12-13,15,17-18H,2-8H2,1H3,(H,14,16)/t9-,10-,12-,13-/m1/s1.
What are the key properties of N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]hexanamide?
N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]hexanamide has a molecular weight of 259.35 g/mol, XLogP of 0.03, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]methyl]hexanamide is sourced from PubChem (CID 58543416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).