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

C19H37N3O4 — CID 67190576

IUPAC2-[(2R,3S,4R,5R)-1-butyl-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-2-(1-butylpyrrolidin-2-yl)acetamide
SMILESCCCCN1CCCC1C(C(N)=O)[C@@H]1[C@H](O)[C@H](O)[C@@H](CO)N1CCCC
InChIInChI=1S/C19H37N3O4/c1-3-5-9-21-10-7-8-13(21)15(19(20)26)16-18(25)17(24)14(12-23)22(16)11-6-4-2/h13-18,23-25H,3-12H2,1-2H3,(H2,20,26)/t13?,14-,15?,16-,17-,18+/m1/s1
InChIKeyGYLNUSSQKUYYSI-ZAJBQDMASA-N
MW371.52 g/mol
LogP-0.08
Rot. Bonds10

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

2-[(2R,3S,4R,5R)-1-butyl-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-2-(1-butylpyrrolidin-2-yl)acetamide (PubChem CID 67190576) has the molecular formula C19H37N3O4 and a molecular weight of 371.52 g/mol. Its IUPAC name is 2-[(2R,3S,4R,5R)-1-butyl-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-2-(1-butylpyrrolidin-2-yl)acetamide.

Molecular Properties

Compound Name2-[(2R,3S,4R,5R)-1-butyl-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-2-(1-butylpyrrolidin-2-yl)acetamide
PubChem CID67190576
Molecular FormulaC19H37N3O4
Molecular Weight371.52 g/mol
Exact Mass371.28
IUPAC Name2-[(2R,3S,4R,5R)-1-butyl-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-2-(1-butylpyrrolidin-2-yl)acetamide
SMILESCCCCN1CCCC1C(C(N)=O)[C@@H]1[C@H](O)[C@H](O)[C@@H](CO)N1CCCC
InChIInChI=1S/C19H37N3O4/c1-3-5-9-21-10-7-8-13(21)15(19(20)26)16-18(25)17(24)14(12-23)22(16)11-6-4-2/h13-18,23-25H,3-12H2,1-2H3,(H2,20,26)/t13?,14-,15?,16-,17-,18+/m1/s1
InChIKeyGYLNUSSQKUYYSI-ZAJBQDMASA-N
XLogP-0.08
TPSA110.26 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.52
LogP ≤ 5-0.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3S,4R,5R)-1-butyl-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-2-(1-butylpyrrolidin-2-yl)acetamide?
The IUPAC name of 2-[(2R,3S,4R,5R)-1-butyl-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-2-(1-butylpyrrolidin-2-yl)acetamide (CID 67190576) is 2-[(2R,3S,4R,5R)-1-butyl-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-2-(1-butylpyrrolidin-2-yl)acetamide.
What is the SMILES notation for 2-[(2R,3S,4R,5R)-1-butyl-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-2-(1-butylpyrrolidin-2-yl)acetamide?
The canonical SMILES for 2-[(2R,3S,4R,5R)-1-butyl-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-2-(1-butylpyrrolidin-2-yl)acetamide is CCCCN1CCCC1C(C(N)=O)[C@@H]1[C@H](O)[C@H](O)[C@@H](CO)N1CCCC.
What is the InChIKey of 2-[(2R,3S,4R,5R)-1-butyl-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-2-(1-butylpyrrolidin-2-yl)acetamide?
The InChIKey is GYLNUSSQKUYYSI-ZAJBQDMASA-N. The full InChI is InChI=1S/C19H37N3O4/c1-3-5-9-21-10-7-8-13(21)15(19(20)26)16-18(25)17(24)14(12-23)22(16)11-6-4-2/h13-18,23-25H,3-12H2,1-2H3,(H2,20,26)/t13?,14-,15?,16-,17-,18+/m1/s1.
What are the key properties of 2-[(2R,3S,4R,5R)-1-butyl-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-2-(1-butylpyrrolidin-2-yl)acetamide?
2-[(2R,3S,4R,5R)-1-butyl-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-2-(1-butylpyrrolidin-2-yl)acetamide has a molecular weight of 371.52 g/mol, XLogP of -0.08, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3S,4R,5R)-1-butyl-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-2-(1-butylpyrrolidin-2-yl)acetamide is sourced from PubChem (CID 67190576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).