N-[2-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

C8H16N2O5 — CID 897

IUPACN-[2-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILESCC(=O)NC1C(N)OC(CO)C(O)C1O
InChIInChI=1S/C8H16N2O5/c1-3(12)10-5-7(14)6(13)4(2-11)15-8(5)9/h4-8,11,13-14H,2,9H2,1H3,(H,10,12)
InChIKeyMCGXOCXFFNKASF-UHFFFAOYSA-N
MW220.22 g/mol
LogP-3.11
Rot. Bonds2

About N-[2-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

N-[2-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (PubChem CID 897) has the molecular formula C8H16N2O5 and a molecular weight of 220.22 g/mol. Its IUPAC name is N-[2-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
PubChem CID897
Molecular FormulaC8H16N2O5
Molecular Weight220.22 g/mol
Exact Mass220.11
IUPAC NameN-[2-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILESCC(=O)NC1C(N)OC(CO)C(O)C1O
InChIInChI=1S/C8H16N2O5/c1-3(12)10-5-7(14)6(13)4(2-11)15-8(5)9/h4-8,11,13-14H,2,9H2,1H3,(H,10,12)
InChIKeyMCGXOCXFFNKASF-UHFFFAOYSA-N
XLogP-3.11
TPSA125.04 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 5-3.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The IUPAC name of N-[2-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CID 897) is N-[2-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.
What is the SMILES notation for N-[2-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The canonical SMILES for N-[2-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is CC(=O)NC1C(N)OC(CO)C(O)C1O.
What is the InChIKey of N-[2-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The InChIKey is MCGXOCXFFNKASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O5/c1-3(12)10-5-7(14)6(13)4(2-11)15-8(5)9/h4-8,11,13-14H,2,9H2,1H3,(H,10,12).
What are the key properties of N-[2-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
N-[2-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide has a molecular weight of 220.22 g/mol, XLogP of -3.11, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).