N-[(4R)-2-[(2S)-2,3-dihydroxypropyl]-4-hydroxyoxan-3-yl]acetamide

C10H19NO5 — CID 144507621

IUPACN-[(4R)-2-[(2S)-2,3-dihydroxypropyl]-4-hydroxyoxan-3-yl]acetamide
SMILESCC(=O)NC1C(C[C@H](O)CO)OCC[C@H]1O
InChIInChI=1S/C10H19NO5/c1-6(13)11-10-8(15)2-3-16-9(10)4-7(14)5-12/h7-10,12,14-15H,2-5H2,1H3,(H,11,13)/t7-,8+,9?,10?/m0/s1
InChIKeyZMPVGMWFKPDVSE-AFWXGSBKSA-N
MW233.26 g/mol
LogP-1.62
Rot. Bonds4

About N-[(4R)-2-[(2S)-2,3-dihydroxypropyl]-4-hydroxyoxan-3-yl]acetamide

N-[(4R)-2-[(2S)-2,3-dihydroxypropyl]-4-hydroxyoxan-3-yl]acetamide (PubChem CID 144507621) has the molecular formula C10H19NO5 and a molecular weight of 233.26 g/mol. Its IUPAC name is N-[(4R)-2-[(2S)-2,3-dihydroxypropyl]-4-hydroxyoxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(4R)-2-[(2S)-2,3-dihydroxypropyl]-4-hydroxyoxan-3-yl]acetamide
PubChem CID144507621
Molecular FormulaC10H19NO5
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC NameN-[(4R)-2-[(2S)-2,3-dihydroxypropyl]-4-hydroxyoxan-3-yl]acetamide
SMILESCC(=O)NC1C(C[C@H](O)CO)OCC[C@H]1O
InChIInChI=1S/C10H19NO5/c1-6(13)11-10-8(15)2-3-16-9(10)4-7(14)5-12/h7-10,12,14-15H,2-5H2,1H3,(H,11,13)/t7-,8+,9?,10?/m0/s1
InChIKeyZMPVGMWFKPDVSE-AFWXGSBKSA-N
XLogP-1.62
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 5-1.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1,2-dihydroxybutyl)-4-hydroxyoxan-3-yl]acetamide
CID 90887662
N-(4-hydroxyoxan-3-yl)acetamide;N-[4-hydroxy-2-(1,2,3-trihydroxypropyl)oxan-3-yl]acetamide;methane;methylcyclohexane;methylcyclopropane
CID 159610500
N-[(2R,3R,4S,6S)-4,6-dihydroxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]acetamide
CID 156618959
2-(1-hydroxypropyl)oxolan-3-ol
CID 20736976
N-[(1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]acetamide
CID 15549518
N-[(4R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[[(2S)-1-hydroxy-3-oxopropan-2-yl]amino]methoxy]oxan-3-yl]acetamide
CID 122447767
3-acetamido-4,5-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
CID 71122588
N-[2,5-dihydroxy-4,6-bis(hydroxymethyl)oxan-3-yl]acetamide
CID 71079558
N-[(2S,3R,4R,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-(1-hydroxy-3-oxopropan-2-yl)oxy-5-methoxyoxan-3-yl]acetamide
CID 91861590
N-[(4R,5R,6R)-2,4-dihydroxy-2-oxo-6-[(1S,2S)-1,2,3-trihydroxypropyl]-1,2λ5-oxaphosphinan-5-yl]acetamide
CID 23420489
N-[(2R,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-2-(2-oxopropyl)oxolan-3-yl]acetamide
CID 122573707
(2S,5R)-5-acetamido-2-[(2S,5S)-2-[(3S,6R)-5-acetamido-6-hydroxy-2-(hydroxymethyl)-4-[(2S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[(2S)-2,3-dihydroxypropyl]-4-hydroxyoxane-2-carboxylic acid
CID 70870539

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-2-[(2S)-2,3-dihydroxypropyl]-4-hydroxyoxan-3-yl]acetamide?
The IUPAC name of N-[(4R)-2-[(2S)-2,3-dihydroxypropyl]-4-hydroxyoxan-3-yl]acetamide (CID 144507621) is N-[(4R)-2-[(2S)-2,3-dihydroxypropyl]-4-hydroxyoxan-3-yl]acetamide.
What is the SMILES notation for N-[(4R)-2-[(2S)-2,3-dihydroxypropyl]-4-hydroxyoxan-3-yl]acetamide?
The canonical SMILES for N-[(4R)-2-[(2S)-2,3-dihydroxypropyl]-4-hydroxyoxan-3-yl]acetamide is CC(=O)NC1C(C[C@H](O)CO)OCC[C@H]1O.
What is the InChIKey of N-[(4R)-2-[(2S)-2,3-dihydroxypropyl]-4-hydroxyoxan-3-yl]acetamide?
The InChIKey is ZMPVGMWFKPDVSE-AFWXGSBKSA-N. The full InChI is InChI=1S/C10H19NO5/c1-6(13)11-10-8(15)2-3-16-9(10)4-7(14)5-12/h7-10,12,14-15H,2-5H2,1H3,(H,11,13)/t7-,8+,9?,10?/m0/s1.
What are the key properties of N-[(4R)-2-[(2S)-2,3-dihydroxypropyl]-4-hydroxyoxan-3-yl]acetamide?
N-[(4R)-2-[(2S)-2,3-dihydroxypropyl]-4-hydroxyoxan-3-yl]acetamide has a molecular weight of 233.26 g/mol, XLogP of -1.62, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-2-[(2S)-2,3-dihydroxypropyl]-4-hydroxyoxan-3-yl]acetamide is sourced from PubChem (CID 144507621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).