N-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]butanamide

C11H21NO5 — CID 76510956

IUPACN-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]butanamide
SMILESCCCC(=O)NC1C(C)OC(CO)C(O)C1O
InChIInChI=1S/C11H21NO5/c1-3-4-8(14)12-9-6(2)17-7(5-13)10(15)11(9)16/h6-7,9-11,13,15-16H,3-5H2,1-2H3,(H,12,14)
InChIKeyZDDFJTORPLCPGZ-UHFFFAOYSA-N
MW247.29 g/mol
LogP-1.23
Rot. Bonds4

About N-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]butanamide

N-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]butanamide (PubChem CID 76510956) has the molecular formula C11H21NO5 and a molecular weight of 247.29 g/mol. Its IUPAC name is N-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]butanamide.

Molecular Properties

Compound NameN-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]butanamide
PubChem CID76510956
Molecular FormulaC11H21NO5
Molecular Weight247.29 g/mol
Exact Mass247.14
IUPAC NameN-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]butanamide
SMILESCCCC(=O)NC1C(C)OC(CO)C(O)C1O
InChIInChI=1S/C11H21NO5/c1-3-4-8(14)12-9-6(2)17-7(5-13)10(15)11(9)16/h6-7,9-11,13,15-16H,3-5H2,1-2H3,(H,12,14)
InChIKeyZDDFJTORPLCPGZ-UHFFFAOYSA-N
XLogP-1.23
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 5-1.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]butanamide
CID 57326091
N-[(4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide
CID 90352171
N-[(5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide
CID 71235358
N-[(2R,4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide
CID 58852887
N-[(2S,3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-sulfanyloxan-3-yl]butanamide
CID 91314025
N-[(2S,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]acetamide
CID 58911480
N-[(2R,3S,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]acetamide
CID 177167947
N-[(4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]acetamide
CID 70930767
(2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide
CID 159537443
[(2R,3S,4R,5R)-5-(butanoylamino)-3,4-dihydroxy-6-methyloxan-2-yl]methyl cyclopropanecarboxylate
CID 139295247
N-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]hexadecanamide
CID 101090548
N-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]-7-phenylheptanamide
CID 155119108

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]butanamide?
The IUPAC name of N-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]butanamide (CID 76510956) is N-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]butanamide.
What is the SMILES notation for N-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]butanamide?
The canonical SMILES for N-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]butanamide is CCCC(=O)NC1C(C)OC(CO)C(O)C1O.
What is the InChIKey of N-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]butanamide?
The InChIKey is ZDDFJTORPLCPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5/c1-3-4-8(14)12-9-6(2)17-7(5-13)10(15)11(9)16/h6-7,9-11,13,15-16H,3-5H2,1-2H3,(H,12,14).
What are the key properties of N-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]butanamide?
N-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]butanamide has a molecular weight of 247.29 g/mol, XLogP of -1.23, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]butanamide is sourced from PubChem (CID 76510956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).