N-[[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]butanamide

C11H21NO6 — CID 11708716

IUPACN-[[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]butanamide
SMILESCCCC(=O)NC[C@H]1O[C@H](OC)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C11H21NO6/c1-3-4-7(13)12-5-6-8(14)9(15)10(16)11(17-2)18-6/h6,8-11,14-16H,3-5H2,1-2H3,(H,12,13)/t6-,8-,9+,10+,11+/m1/s1
InChIKeyPGNJVUTYZNDDMG-OLSRCRKSSA-N
MW263.29 g/mol
LogP-1.64
Rot. Bonds5

About N-[[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]butanamide

N-[[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]butanamide (PubChem CID 11708716) has the molecular formula C11H21NO6 and a molecular weight of 263.29 g/mol. Its IUPAC name is N-[[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]butanamide.

Molecular Properties

Compound NameN-[[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]butanamide
PubChem CID11708716
Molecular FormulaC11H21NO6
Molecular Weight263.29 g/mol
Exact Mass263.14
IUPAC NameN-[[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]butanamide
SMILESCCCC(=O)NC[C@H]1O[C@H](OC)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C11H21NO6/c1-3-4-7(13)12-5-6-8(14)9(15)10(16)11(17-2)18-6/h6,8-11,14-16H,3-5H2,1-2H3,(H,12,13)/t6-,8-,9+,10+,11+/m1/s1
InChIKeyPGNJVUTYZNDDMG-OLSRCRKSSA-N
XLogP-1.64
TPSA108.25 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 5-1.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]butanamide with MolForge

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Related Compounds

N-[[(3aS,4R,6R,7R,7aR)-7-hydroxy-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]butanamide
CID 25269638
2,2-dimethyl-N-[[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]propanamide
CID 11616084
(4S)-4-[[(2S)-3-methyl-2-(pentanoylamino)butanoyl]amino]-5-oxo-N-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]hexanamide
CID 146393868
2-ethyl-6-methoxyoxane-3,4,5-triol
CID 21334747
(3R,4R,6R)-2-ethyl-6-methoxyoxane-3,4,5-triol
CID 58503038
3-(3,4,5-trihydroxy-6-methoxyoxan-2-yl)propanoic acid
CID 74085670
(2S,5R)-2-methoxy-6-(sulfanylmethyl)oxane-3,4,5-triol
CID 144721467
N-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetramethoxyoxan-2-yl]methyl]propanamide
CID 67799458
2-(1-ethyl-2,3,3-trimethylindol-1-ium-5-yl)-N-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]acetamide iodide
CID 10506813
1-(2-chloroethyl)-1-nitroso-3-[[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]urea
CID 124921536
(2R,3R,4R,5R)-5-(aminomethyl)-3,4-dihydroxy-N-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]pyrrolidine-2-carboxamide
CID 102122427
N-butyl-3-[6-[6-[3-(butylamino)-3-oxopropyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]propanamide
CID 20980822

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]butanamide?
The IUPAC name of N-[[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]butanamide (CID 11708716) is N-[[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]butanamide.
What is the SMILES notation for N-[[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]butanamide?
The canonical SMILES for N-[[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]butanamide is CCCC(=O)NC[C@H]1O[C@H](OC)[C@@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of N-[[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]butanamide?
The InChIKey is PGNJVUTYZNDDMG-OLSRCRKSSA-N. The full InChI is InChI=1S/C11H21NO6/c1-3-4-7(13)12-5-6-8(14)9(15)10(16)11(17-2)18-6/h6,8-11,14-16H,3-5H2,1-2H3,(H,12,13)/t6-,8-,9+,10+,11+/m1/s1.
What are the key properties of N-[[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]butanamide?
N-[[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]butanamide has a molecular weight of 263.29 g/mol, XLogP of -1.64, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]butanamide is sourced from PubChem (CID 11708716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).