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

C11H22N2O4 — CID 67343303

IUPAC2-[(2R,3S,4R,5R)-1-butyl-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]acetamide
SMILESCCCCN1[C@H](CC(N)=O)[C@H](O)[C@H](O)[C@H]1CO
InChIInChI=1S/C11H22N2O4/c1-2-3-4-13-7(5-9(12)15)10(16)11(17)8(13)6-14/h7-8,10-11,14,16-17H,2-6H2,1H3,(H2,12,15)/t7-,8-,10+,11-/m1/s1
InChIKeyZFXQGTLKWKBKQV-DEKFOEGESA-N
MW246.31 g/mol
LogP-1.57
Rot. Bonds6

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

2-[(2R,3S,4R,5R)-1-butyl-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]acetamide (PubChem CID 67343303) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[(2R,3S,4R,5R)-1-butyl-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]acetamide.

Molecular Properties

Compound Name2-[(2R,3S,4R,5R)-1-butyl-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]acetamide
PubChem CID67343303
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name2-[(2R,3S,4R,5R)-1-butyl-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]acetamide
SMILESCCCCN1[C@H](CC(N)=O)[C@H](O)[C@H](O)[C@H]1CO
InChIInChI=1S/C11H22N2O4/c1-2-3-4-13-7(5-9(12)15)10(16)11(17)8(13)6-14/h7-8,10-11,14,16-17H,2-6H2,1H3,(H2,12,15)/t7-,8-,10+,11-/m1/s1
InChIKeyZFXQGTLKWKBKQV-DEKFOEGESA-N
XLogP-1.57
TPSA107.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 5-1.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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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]acetamide?
The IUPAC name of 2-[(2R,3S,4R,5R)-1-butyl-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]acetamide (CID 67343303) is 2-[(2R,3S,4R,5R)-1-butyl-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]acetamide.
What is the SMILES notation for 2-[(2R,3S,4R,5R)-1-butyl-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]acetamide?
The canonical SMILES for 2-[(2R,3S,4R,5R)-1-butyl-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]acetamide is CCCCN1[C@H](CC(N)=O)[C@H](O)[C@H](O)[C@H]1CO.
What is the InChIKey of 2-[(2R,3S,4R,5R)-1-butyl-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]acetamide?
The InChIKey is ZFXQGTLKWKBKQV-DEKFOEGESA-N. The full InChI is InChI=1S/C11H22N2O4/c1-2-3-4-13-7(5-9(12)15)10(16)11(17)8(13)6-14/h7-8,10-11,14,16-17H,2-6H2,1H3,(H2,12,15)/t7-,8-,10+,11-/m1/s1.
What are the key properties of 2-[(2R,3S,4R,5R)-1-butyl-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]acetamide?
2-[(2R,3S,4R,5R)-1-butyl-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]acetamide has a molecular weight of 246.31 g/mol, XLogP of -1.57, 6 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)-1-butyl-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]acetamide is sourced from PubChem (CID 67343303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).