N-[(2R,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-2-(2-oxopropyl)oxolan-3-yl]acetamide

C11H19NO6 — CID 122573707

IUPACN-[(2R,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-2-(2-oxopropyl)oxolan-3-yl]acetamide
SMILESCC(=O)C[C@H]1O[C@@H]([C@H](O)CO)[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C11H19NO6/c1-5(14)3-8-9(12-6(2)15)10(17)11(18-8)7(16)4-13/h7-11,13,16-17H,3-4H2,1-2H3,(H,12,15)/t7-,8-,9+,10-,11+/m1/s1
InChIKeyTWULLSMDVOIWGA-NZFPMDFQSA-N
MW261.27 g/mol
LogP-2.05
Rot. Bonds5

About N-[(2R,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-2-(2-oxopropyl)oxolan-3-yl]acetamide

N-[(2R,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-2-(2-oxopropyl)oxolan-3-yl]acetamide (PubChem CID 122573707) has the molecular formula C11H19NO6 and a molecular weight of 261.27 g/mol. Its IUPAC name is N-[(2R,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-2-(2-oxopropyl)oxolan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-2-(2-oxopropyl)oxolan-3-yl]acetamide
PubChem CID122573707
Molecular FormulaC11H19NO6
Molecular Weight261.27 g/mol
Exact Mass261.12
IUPAC NameN-[(2R,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-2-(2-oxopropyl)oxolan-3-yl]acetamide
SMILESCC(=O)C[C@H]1O[C@@H]([C@H](O)CO)[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C11H19NO6/c1-5(14)3-8-9(12-6(2)15)10(17)11(18-8)7(16)4-13/h7-11,13,16-17H,3-4H2,1-2H3,(H,12,15)/t7-,8-,9+,10-,11+/m1/s1
InChIKeyTWULLSMDVOIWGA-NZFPMDFQSA-N
XLogP-2.05
TPSA116.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 5-2.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2R,3S,4R,5S,6R)-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]propan-2-one
CID 102214632
N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(2-oxopropyl)oxan-3-yl]acetamide
CID 11379971
N-[(3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-2-hydroxy-4-[[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]oxolan-3-yl]acetamide
CID 10667524
N-[(2R,5R)-4,5-dihydroxy-2,6-bis(hydroxymethyl)oxan-3-yl]acetamide
CID 70799397
3-acetamido-4,5-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
CID 71122588
2-amino-2-[5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]acetic acid
CID 146516962
N-[(2R,3R,4S,6S)-4,6-dihydroxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]acetamide
CID 156618959
N-[(3R,4R,5R,6R)-2-[[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 173295647
N-[(2S,3R,4R,5S,6R)-2-[(2R,3R,4S,5S,6S)-2-[(1R)-1,2-dihydroxyethyl]-3,5,6-trihydroxyoxan-4-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide
CID 91855962
N-[(2R,3S,4S,5R)-2,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]acetamide
CID 131118562
N-[(2S,3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]acetamide
CID 70004972
N-[4,5-dihydroxy-6-(hydroxymethyl)-2-(2-methylpropyl)oxan-3-yl]acetamide
CID 148766556

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-2-(2-oxopropyl)oxolan-3-yl]acetamide?
The IUPAC name of N-[(2R,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-2-(2-oxopropyl)oxolan-3-yl]acetamide (CID 122573707) is N-[(2R,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-2-(2-oxopropyl)oxolan-3-yl]acetamide.
What is the SMILES notation for N-[(2R,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-2-(2-oxopropyl)oxolan-3-yl]acetamide?
The canonical SMILES for N-[(2R,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-2-(2-oxopropyl)oxolan-3-yl]acetamide is CC(=O)C[C@H]1O[C@@H]([C@H](O)CO)[C@H](O)[C@H]1NC(C)=O.
What is the InChIKey of N-[(2R,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-2-(2-oxopropyl)oxolan-3-yl]acetamide?
The InChIKey is TWULLSMDVOIWGA-NZFPMDFQSA-N. The full InChI is InChI=1S/C11H19NO6/c1-5(14)3-8-9(12-6(2)15)10(17)11(18-8)7(16)4-13/h7-11,13,16-17H,3-4H2,1-2H3,(H,12,15)/t7-,8-,9+,10-,11+/m1/s1.
What are the key properties of N-[(2R,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-2-(2-oxopropyl)oxolan-3-yl]acetamide?
N-[(2R,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-2-(2-oxopropyl)oxolan-3-yl]acetamide has a molecular weight of 261.27 g/mol, XLogP of -2.05, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-2-(2-oxopropyl)oxolan-3-yl]acetamide is sourced from PubChem (CID 122573707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).