2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-1-(9-hydroxynonyl)pyrrolidin-2-yl]acetamide

C16H32N2O5 — CID 67340999

IUPAC2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-1-(9-hydroxynonyl)pyrrolidin-2-yl]acetamide
SMILESNC(=O)C[C@@H]1[C@H](O)[C@H](O)[C@@H](CO)N1CCCCCCCCCO
InChIInChI=1S/C16H32N2O5/c17-14(21)10-12-15(22)16(23)13(11-20)18(12)8-6-4-2-1-3-5-7-9-19/h12-13,15-16,19-20,22-23H,1-11H2,(H2,17,21)/t12-,13-,15+,16-/m1/s1
InChIKeyLOZMHKQNAUCUTG-LUYZLQTOSA-N
MW332.44 g/mol
LogP-0.65
Rot. Bonds12

About 2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-1-(9-hydroxynonyl)pyrrolidin-2-yl]acetamide

2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-1-(9-hydroxynonyl)pyrrolidin-2-yl]acetamide (PubChem CID 67340999) has the molecular formula C16H32N2O5 and a molecular weight of 332.44 g/mol. Its IUPAC name is 2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-1-(9-hydroxynonyl)pyrrolidin-2-yl]acetamide.

Molecular Properties

Compound Name2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-1-(9-hydroxynonyl)pyrrolidin-2-yl]acetamide
PubChem CID67340999
Molecular FormulaC16H32N2O5
Molecular Weight332.44 g/mol
Exact Mass332.23
IUPAC Name2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-1-(9-hydroxynonyl)pyrrolidin-2-yl]acetamide
SMILESNC(=O)C[C@@H]1[C@H](O)[C@H](O)[C@@H](CO)N1CCCCCCCCCO
InChIInChI=1S/C16H32N2O5/c17-14(21)10-12-15(22)16(23)13(11-20)18(12)8-6-4-2-1-3-5-7-9-19/h12-13,15-16,19-20,22-23H,1-11H2,(H2,17,21)/t12-,13-,15+,16-/m1/s1
InChIKeyLOZMHKQNAUCUTG-LUYZLQTOSA-N
XLogP-0.65
TPSA127.25 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 5-0.65
H-Bond Donors ≤ 55
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 2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-1-(9-hydroxynonyl)pyrrolidin-2-yl]acetamide?
The IUPAC name of 2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-1-(9-hydroxynonyl)pyrrolidin-2-yl]acetamide (CID 67340999) is 2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-1-(9-hydroxynonyl)pyrrolidin-2-yl]acetamide.
What is the SMILES notation for 2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-1-(9-hydroxynonyl)pyrrolidin-2-yl]acetamide?
The canonical SMILES for 2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-1-(9-hydroxynonyl)pyrrolidin-2-yl]acetamide is NC(=O)C[C@@H]1[C@H](O)[C@H](O)[C@@H](CO)N1CCCCCCCCCO.
What is the InChIKey of 2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-1-(9-hydroxynonyl)pyrrolidin-2-yl]acetamide?
The InChIKey is LOZMHKQNAUCUTG-LUYZLQTOSA-N. The full InChI is InChI=1S/C16H32N2O5/c17-14(21)10-12-15(22)16(23)13(11-20)18(12)8-6-4-2-1-3-5-7-9-19/h12-13,15-16,19-20,22-23H,1-11H2,(H2,17,21)/t12-,13-,15+,16-/m1/s1.
What are the key properties of 2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-1-(9-hydroxynonyl)pyrrolidin-2-yl]acetamide?
2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-1-(9-hydroxynonyl)pyrrolidin-2-yl]acetamide has a molecular weight of 332.44 g/mol, XLogP of -0.65, 12 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-1-(9-hydroxynonyl)pyrrolidin-2-yl]acetamide is sourced from PubChem (CID 67340999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).