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

C12H23NO6 — CID 3616514

IUPACN-[2-butan-2-yloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILESCCC(C)OC1OC(CO)C(O)C(O)C1NC(C)=O
InChIInChI=1S/C12H23NO6/c1-4-6(2)18-12-9(13-7(3)15)11(17)10(16)8(5-14)19-12/h6,8-12,14,16-17H,4-5H2,1-3H3,(H,13,15)
InChIKeyOULDILXOVFVVGR-UHFFFAOYSA-N
MW277.32 g/mol
LogP-1.25
Rot. Bonds5

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

N-[2-butan-2-yloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (PubChem CID 3616514) has the molecular formula C12H23NO6 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-[2-butan-2-yloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-butan-2-yloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
PubChem CID3616514
Molecular FormulaC12H23NO6
Molecular Weight277.32 g/mol
Exact Mass277.15
IUPAC NameN-[2-butan-2-yloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILESCCC(C)OC1OC(CO)C(O)C(O)C1NC(C)=O
InChIInChI=1S/C12H23NO6/c1-4-6(2)18-12-9(13-7(3)15)11(17)10(16)8(5-14)19-12/h6,8-12,14,16-17H,4-5H2,1-3H3,(H,13,15)
InChIKeyOULDILXOVFVVGR-UHFFFAOYSA-N
XLogP-1.25
TPSA108.25 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 5-1.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-acetyl-alpha-D-galactosamine
CID 84265
N-Acetyllactosamine
CID 439271
alpha-D-N-Acetylmannosamine
CID 644170
N-Acetyl-D-Glucosamine
CID 439174
N-acetyl-beta-D-galactosamine
CID 440552
N-Acetyl-D-Mannosamine
CID 439281
2-(Acetylamino)-2-deoxy-beta-D-mannopyranose
CID 11096158
N-Acetyl-Hexosamine
CID 899
N-Acetyl-Alpha-D-Glucosamine
CID 82313
N-ACETYL-beta-D-GLUCOSAMINE
CID 24139
beta-D-Manp-(1->4)-beta-D-GlcpNAc
CID 70698368
N-Acetyl-Muramic Acid
CID 5462244

Frequently Asked Questions

What is the IUPAC name of N-[2-butan-2-yloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The IUPAC name of N-[2-butan-2-yloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CID 3616514) is N-[2-butan-2-yloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.
What is the SMILES notation for N-[2-butan-2-yloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The canonical SMILES for N-[2-butan-2-yloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is CCC(C)OC1OC(CO)C(O)C(O)C1NC(C)=O.
What is the InChIKey of N-[2-butan-2-yloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The InChIKey is OULDILXOVFVVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO6/c1-4-6(2)18-12-9(13-7(3)15)11(17)10(16)8(5-14)19-12/h6,8-12,14,16-17H,4-5H2,1-3H3,(H,13,15).
What are the key properties of N-[2-butan-2-yloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
N-[2-butan-2-yloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide has a molecular weight of 277.32 g/mol, XLogP of -1.25, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-butan-2-yloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 3616514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).