N-[(2R,3S,4S,5R)-2,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]acetamide

C7H13NO5 — CID 131118562

IUPACN-[(2R,3S,4S,5R)-2,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]acetamide
SMILESCC(=O)N[C@H]1[C@H](O)[C@@H](CO)O[C@H]1O
InChIInChI=1S/C7H13NO5/c1-3(10)8-5-6(11)4(2-9)13-7(5)12/h4-7,9,11-12H,2H2,1H3,(H,8,10)/t4-,5+,6-,7-/m1/s1
InChIKeyIDNRONVPFCAGOY-XZBKPIIZSA-N
MW191.18 g/mol
LogP-2.44
Rot. Bonds2

About N-[(2R,3S,4S,5R)-2,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]acetamide

N-[(2R,3S,4S,5R)-2,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]acetamide (PubChem CID 131118562) has the molecular formula C7H13NO5 and a molecular weight of 191.18 g/mol. Its IUPAC name is N-[(2R,3S,4S,5R)-2,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,3S,4S,5R)-2,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]acetamide
PubChem CID131118562
Molecular FormulaC7H13NO5
Molecular Weight191.18 g/mol
Exact Mass191.08
IUPAC NameN-[(2R,3S,4S,5R)-2,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]acetamide
SMILESCC(=O)N[C@H]1[C@H](O)[C@@H](CO)O[C@H]1O
InChIInChI=1S/C7H13NO5/c1-3(10)8-5-6(11)4(2-9)13-7(5)12/h4-7,9,11-12H,2H2,1H3,(H,8,10)/t4-,5+,6-,7-/m1/s1
InChIKeyIDNRONVPFCAGOY-XZBKPIIZSA-N
XLogP-2.44
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 5-2.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 11869611
N-[(4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 58718646
N-[(3S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 16757753
N-[(2R,3S,4S,5R,6S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 11861101
N-[(2S,3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]acetamide
CID 70004972
acetic acid;N-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 158802071
molecular hydrogen;N-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 158718880
ethene;N-[(4S,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 157487416
N-[(3R,4S,5R,6S)-5-amino-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 139572683
phosphoric acid;N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 135349447
sulfuric acid;N-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 138697730
N-[2,5-dihydroxy-4,6-bis(hydroxymethyl)oxan-3-yl]acetamide
CID 71079558

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S,4S,5R)-2,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]acetamide?
The IUPAC name of N-[(2R,3S,4S,5R)-2,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]acetamide (CID 131118562) is N-[(2R,3S,4S,5R)-2,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]acetamide.
What is the SMILES notation for N-[(2R,3S,4S,5R)-2,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]acetamide?
The canonical SMILES for N-[(2R,3S,4S,5R)-2,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]acetamide is CC(=O)N[C@H]1[C@H](O)[C@@H](CO)O[C@H]1O.
What is the InChIKey of N-[(2R,3S,4S,5R)-2,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]acetamide?
The InChIKey is IDNRONVPFCAGOY-XZBKPIIZSA-N. The full InChI is InChI=1S/C7H13NO5/c1-3(10)8-5-6(11)4(2-9)13-7(5)12/h4-7,9,11-12H,2H2,1H3,(H,8,10)/t4-,5+,6-,7-/m1/s1.
What are the key properties of N-[(2R,3S,4S,5R)-2,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]acetamide?
N-[(2R,3S,4S,5R)-2,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]acetamide has a molecular weight of 191.18 g/mol, XLogP of -2.44, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S,4S,5R)-2,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]acetamide is sourced from PubChem (CID 131118562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).