(2R)-2-[[(1S,2R,3S,4S,5S)-4-acetamido-2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]propanamide

C11H18N2O6 — CID 50930450

IUPAC(2R)-2-[[(1S,2R,3S,4S,5S)-4-acetamido-2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]propanamide
SMILESCC(=O)N[C@@H]1[C@H]2OC[C@H](O2)[C@H](O)[C@H]1O[C@H](C)C(N)=O
InChIInChI=1S/C11H18N2O6/c1-4(10(12)16)18-9-7(13-5(2)14)11-17-3-6(19-11)8(9)15/h4,6-9,11,15H,3H2,1-2H3,(H2,12,16)(H,13,14)/t4-,6+,7+,8+,9+,11+/m1/s1
InChIKeyCOPQOGLUGIIQCC-LORZARMASA-N
MW274.27 g/mol
LogP-2.13
Rot. Bonds4

About (2R)-2-[[(1S,2R,3S,4S,5S)-4-acetamido-2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]propanamide

(2R)-2-[[(1S,2R,3S,4S,5S)-4-acetamido-2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]propanamide (PubChem CID 50930450) has the molecular formula C11H18N2O6 and a molecular weight of 274.27 g/mol. Its IUPAC name is (2R)-2-[[(1S,2R,3S,4S,5S)-4-acetamido-2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]propanamide.

Molecular Properties

Compound Name(2R)-2-[[(1S,2R,3S,4S,5S)-4-acetamido-2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]propanamide
PubChem CID50930450
Molecular FormulaC11H18N2O6
Molecular Weight274.27 g/mol
Exact Mass274.12
IUPAC Name(2R)-2-[[(1S,2R,3S,4S,5S)-4-acetamido-2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]propanamide
SMILESCC(=O)N[C@@H]1[C@H]2OC[C@H](O2)[C@H](O)[C@H]1O[C@H](C)C(N)=O
InChIInChI=1S/C11H18N2O6/c1-4(10(12)16)18-9-7(13-5(2)14)11-17-3-6(19-11)8(9)15/h4,6-9,11,15H,3H2,1-2H3,(H2,12,16)(H,13,14)/t4-,6+,7+,8+,9+,11+/m1/s1
InChIKeyCOPQOGLUGIIQCC-LORZARMASA-N
XLogP-2.13
TPSA120.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 5-2.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[[(1S,2R,3S,4S,5S)-4-acetamido-2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]propanamide with MolForge

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Related Compounds

(2S)-2-[[(2R)-2-[[(1R,2S,3R,4R,5R)-4-acetamido-2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]propanoyl]amino]propanoic acid
CID 146597148
N-[(1R,2S,3R,4R,5R)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide
CID 14308166
N-[(1R,2R,3S,4R,5R)-2,4-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]acetamide
CID 57197157
N-[(1S,2S,3S,4R,5R)-4-fluoro-3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-2-yl]acetamide
CID 131123221
(2R)-2-[[(1R,2S,3R,4R,5R)-4-amino-2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]propanoic acid
CID 122222954
N-[(1R,2S,3R,4S,5R)-2-ethoxy-3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide
CID 102244861
(2R,6S)-6-[[(4R)-4-[[(2S)-2-[[(2R)-2-[[(1R,2S,3R,4R,5R)-4-acetamido-2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]propanoyl]amino]propanoyl]amino]-4-carboxybutanoyl]amino]-2-amino-7-[[(2R)-1-[[(1R)-1-carboxyethyl]amino]-1-oxopropan-2-yl]amino]-7-oxoheptanoic acid
CID 71737818
N-(5-hydroxy-3-propan-2-yloxy-2,7-dioxabicyclo[4.1.0]heptan-4-yl)acetamide
CID 130253352
N-[2,3-bis(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide
CID 135067404
(2R)-2-[(2S,3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoic acid
CID 7058171
N-[(1R,2S,3S,4R,5S)-2,4-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]hexadecanamide
CID 10949376
2-[[4-[2-[2-[[4-acetamido-2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]propanoylamino]propanoylamino]-5-amino-5-oxopentanoyl]amino]-6-[(3-amino-3-carboxypropanoyl)amino]hexanoic acid
CID 168511072

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1S,2R,3S,4S,5S)-4-acetamido-2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]propanamide?
The IUPAC name of (2R)-2-[[(1S,2R,3S,4S,5S)-4-acetamido-2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]propanamide (CID 50930450) is (2R)-2-[[(1S,2R,3S,4S,5S)-4-acetamido-2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]propanamide.
What is the SMILES notation for (2R)-2-[[(1S,2R,3S,4S,5S)-4-acetamido-2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]propanamide?
The canonical SMILES for (2R)-2-[[(1S,2R,3S,4S,5S)-4-acetamido-2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]propanamide is CC(=O)N[C@@H]1[C@H]2OC[C@H](O2)[C@H](O)[C@H]1O[C@H](C)C(N)=O.
What is the InChIKey of (2R)-2-[[(1S,2R,3S,4S,5S)-4-acetamido-2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]propanamide?
The InChIKey is COPQOGLUGIIQCC-LORZARMASA-N. The full InChI is InChI=1S/C11H18N2O6/c1-4(10(12)16)18-9-7(13-5(2)14)11-17-3-6(19-11)8(9)15/h4,6-9,11,15H,3H2,1-2H3,(H2,12,16)(H,13,14)/t4-,6+,7+,8+,9+,11+/m1/s1.
What are the key properties of (2R)-2-[[(1S,2R,3S,4S,5S)-4-acetamido-2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]propanamide?
(2R)-2-[[(1S,2R,3S,4S,5S)-4-acetamido-2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]propanamide has a molecular weight of 274.27 g/mol, XLogP of -2.13, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1S,2R,3S,4S,5S)-4-acetamido-2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]propanamide is sourced from PubChem (CID 50930450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).