N-[(1S,4S,5S)-2,3-dihydroxy-1-methyl-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide

C9H15NO5 — CID 170034195

IUPACN-[(1S,4S,5S)-2,3-dihydroxy-1-methyl-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide
SMILESCC(=O)N[C@H]1C(O)C(O)[C@]2(C)CO[C@H]1O2
InChIInChI=1S/C9H15NO5/c1-4(11)10-5-6(12)7(13)9(2)3-14-8(5)15-9/h5-8,12-13H,3H2,1-2H3,(H,10,11)/t5-,6?,7?,8-,9-/m0/s1
InChIKeyDJFHGCFYHAROJA-UOZUUADDSA-N
MW217.22 g/mol
LogP-1.64
Rot. Bonds1

About N-[(1S,4S,5S)-2,3-dihydroxy-1-methyl-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide

N-[(1S,4S,5S)-2,3-dihydroxy-1-methyl-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide (PubChem CID 170034195) has the molecular formula C9H15NO5 and a molecular weight of 217.22 g/mol. Its IUPAC name is N-[(1S,4S,5S)-2,3-dihydroxy-1-methyl-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(1S,4S,5S)-2,3-dihydroxy-1-methyl-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide
PubChem CID170034195
Molecular FormulaC9H15NO5
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC NameN-[(1S,4S,5S)-2,3-dihydroxy-1-methyl-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide
SMILESCC(=O)N[C@H]1C(O)C(O)[C@]2(C)CO[C@H]1O2
InChIInChI=1S/C9H15NO5/c1-4(11)10-5-6(12)7(13)9(2)3-14-8(5)15-9/h5-8,12-13H,3H2,1-2H3,(H,10,11)/t5-,6?,7?,8-,9-/m0/s1
InChIKeyDJFHGCFYHAROJA-UOZUUADDSA-N
XLogP-1.64
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 5-1.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(1S,4S,5S)-2,3-dihydroxy-1-methyl-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide with MolForge

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Related Compounds

(1S,2R,3R,4R,5S)-4-acetamido-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octane-1-carboxylic acid
CID 123537004
N-[(1S,2R,3R,4R,5S)-2,3-dihydroxy-1-(sulfanylmethyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide
CID 123215610
N-[(2R,3R,4R)-2,3-dihydroxy-1-(propan-2-yloxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide
CID 167420748
N-[(1S,2R,3R,4R,5S)-1-(butoxymethyl)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide
CID 118510871
(1S,2R,3R,4S,5S)-1-methyl-4-(1,2,5-thiadiazol-3-ylamino)-6,8-dioxabicyclo[3.2.1]octane-2,3-diol
CID 167408789
(1S,2R,3R,4R,5R)-4-[(3-chloro-1,2,4-thiadiazol-5-yl)amino]-1-methyl-6,8-dioxabicyclo[3.2.1]octane-2,3-diol
CID 174026616
N-[(1S,2R,3R,4R,5S)-2,3-dihydroxy-1-[2-[2-[2-[2-(1-hydroxyethylsulfanyl)ethoxy]ethoxy]ethoxy]ethoxymethyl]-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide
CID 155274350
N-[(1R,2S,3R,4R,5R)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide
CID 14308166
2-[[(1S,2R,3R,4R,5S)-4-acetamido-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]-N-(3-aminopropyl)pentanamide
CID 174237825
N-[(2S,3R,4R,5R,6R)-6-(aminomethyl)-4,5-dihydroxy-2-methoxyoxan-3-yl]acetamide;N-[(2S,3R,4R,5R)-4,5-dihydroxy-6,6-bis(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide;N-[(1S,2R,3R,4R,5S)-2,3-dihydroxy-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide
CID 158394005
N-[(2S,3R,4R,5S,6S)-6-fluoro-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 70679361
N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)-6-phosphanyloxan-3-yl]acetamide
CID 141185533

Frequently Asked Questions

What is the IUPAC name of N-[(1S,4S,5S)-2,3-dihydroxy-1-methyl-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide?
The IUPAC name of N-[(1S,4S,5S)-2,3-dihydroxy-1-methyl-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide (CID 170034195) is N-[(1S,4S,5S)-2,3-dihydroxy-1-methyl-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide.
What is the SMILES notation for N-[(1S,4S,5S)-2,3-dihydroxy-1-methyl-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide?
The canonical SMILES for N-[(1S,4S,5S)-2,3-dihydroxy-1-methyl-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide is CC(=O)N[C@H]1C(O)C(O)[C@]2(C)CO[C@H]1O2.
What is the InChIKey of N-[(1S,4S,5S)-2,3-dihydroxy-1-methyl-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide?
The InChIKey is DJFHGCFYHAROJA-UOZUUADDSA-N. The full InChI is InChI=1S/C9H15NO5/c1-4(11)10-5-6(12)7(13)9(2)3-14-8(5)15-9/h5-8,12-13H,3H2,1-2H3,(H,10,11)/t5-,6?,7?,8-,9-/m0/s1.
What are the key properties of N-[(1S,4S,5S)-2,3-dihydroxy-1-methyl-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide?
N-[(1S,4S,5S)-2,3-dihydroxy-1-methyl-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide has a molecular weight of 217.22 g/mol, XLogP of -1.64, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,4S,5S)-2,3-dihydroxy-1-methyl-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide is sourced from PubChem (CID 170034195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).