N-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]-2-hydroxyacetamide

C8H16N2O5 — CID 15959250

IUPACN-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]-2-hydroxyacetamide
SMILESO=C(CO)NC[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H16N2O5/c11-2-5-8(15)7(14)4(10-5)1-9-6(13)3-12/h4-5,7-8,10-12,14-15H,1-3H2,(H,9,13)/t4-,5-,7-,8-/m1/s1
InChIKeyWYNVJFPMMWYZGT-SJNFNFGESA-N
MW220.22 g/mol
LogP-3.85
Rot. Bonds4

About N-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]-2-hydroxyacetamide

N-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]-2-hydroxyacetamide (PubChem CID 15959250) has the molecular formula C8H16N2O5 and a molecular weight of 220.22 g/mol. Its IUPAC name is N-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]-2-hydroxyacetamide
PubChem CID15959250
Molecular FormulaC8H16N2O5
Molecular Weight220.22 g/mol
Exact Mass220.11
IUPAC NameN-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]-2-hydroxyacetamide
SMILESO=C(CO)NC[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H16N2O5/c11-2-5-8(15)7(14)4(10-5)1-9-6(13)3-12/h4-5,7-8,10-12,14-15H,1-3H2,(H,9,13)/t4-,5-,7-,8-/m1/s1
InChIKeyWYNVJFPMMWYZGT-SJNFNFGESA-N
XLogP-3.85
TPSA122.05 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.22
LogP ≤ 5-3.85
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]-2-hydroxyacetamide?
The IUPAC name of N-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]-2-hydroxyacetamide (CID 15959250) is N-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]-2-hydroxyacetamide.
What is the SMILES notation for N-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]-2-hydroxyacetamide?
The canonical SMILES for N-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]-2-hydroxyacetamide is O=C(CO)NC[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of N-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]-2-hydroxyacetamide?
The InChIKey is WYNVJFPMMWYZGT-SJNFNFGESA-N. The full InChI is InChI=1S/C8H16N2O5/c11-2-5-8(15)7(14)4(10-5)1-9-6(13)3-12/h4-5,7-8,10-12,14-15H,1-3H2,(H,9,13)/t4-,5-,7-,8-/m1/s1.
What are the key properties of N-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]-2-hydroxyacetamide?
N-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]-2-hydroxyacetamide has a molecular weight of 220.22 g/mol, XLogP of -3.85, 4 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]-2-hydroxyacetamide is sourced from PubChem (CID 15959250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).