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

C16H32N2O4 — CID 67342042

IUPAC2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-1-nonylpyrrolidin-2-yl]acetamide
SMILESCCCCCCCCCN1[C@H](CC(N)=O)[C@H](O)[C@H](O)[C@H]1CO
InChIInChI=1S/C16H32N2O4/c1-2-3-4-5-6-7-8-9-18-12(10-14(17)20)15(21)16(22)13(18)11-19/h12-13,15-16,19,21-22H,2-11H2,1H3,(H2,17,20)/t12-,13-,15+,16-/m1/s1
InChIKeyBOYKVBGZYQKFJA-LUYZLQTOSA-N
MW316.44 g/mol
LogP0.38
Rot. Bonds11

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

2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-1-nonylpyrrolidin-2-yl]acetamide (PubChem CID 67342042) has the molecular formula C16H32N2O4 and a molecular weight of 316.44 g/mol. Its IUPAC name is 2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-1-nonylpyrrolidin-2-yl]acetamide.

Molecular Properties

Compound Name2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-1-nonylpyrrolidin-2-yl]acetamide
PubChem CID67342042
Molecular FormulaC16H32N2O4
Molecular Weight316.44 g/mol
Exact Mass316.24
IUPAC Name2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-1-nonylpyrrolidin-2-yl]acetamide
SMILESCCCCCCCCCN1[C@H](CC(N)=O)[C@H](O)[C@H](O)[C@H]1CO
InChIInChI=1S/C16H32N2O4/c1-2-3-4-5-6-7-8-9-18-12(10-14(17)20)15(21)16(22)13(18)11-19/h12-13,15-16,19,21-22H,2-11H2,1H3,(H2,17,20)/t12-,13-,15+,16-/m1/s1
InChIKeyBOYKVBGZYQKFJA-LUYZLQTOSA-N
XLogP0.38
TPSA107.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 50.38
H-Bond Donors ≤ 54
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 2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-1-nonylpyrrolidin-2-yl]acetamide?
The IUPAC name of 2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-1-nonylpyrrolidin-2-yl]acetamide (CID 67342042) is 2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-1-nonylpyrrolidin-2-yl]acetamide.
What is the SMILES notation for 2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-1-nonylpyrrolidin-2-yl]acetamide?
The canonical SMILES for 2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-1-nonylpyrrolidin-2-yl]acetamide is CCCCCCCCCN1[C@H](CC(N)=O)[C@H](O)[C@H](O)[C@H]1CO.
What is the InChIKey of 2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-1-nonylpyrrolidin-2-yl]acetamide?
The InChIKey is BOYKVBGZYQKFJA-LUYZLQTOSA-N. The full InChI is InChI=1S/C16H32N2O4/c1-2-3-4-5-6-7-8-9-18-12(10-14(17)20)15(21)16(22)13(18)11-19/h12-13,15-16,19,21-22H,2-11H2,1H3,(H2,17,20)/t12-,13-,15+,16-/m1/s1.
What are the key properties of 2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-1-nonylpyrrolidin-2-yl]acetamide?
2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-1-nonylpyrrolidin-2-yl]acetamide has a molecular weight of 316.44 g/mol, XLogP of 0.38, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-1-nonylpyrrolidin-2-yl]acetamide is sourced from PubChem (CID 67342042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).