(2R,3R,4S,5R)-4-amino-5-ethyl-2-(hydroxymethyl)oxolan-3-ol

C7H15NO3 — CID 129088072

IUPAC(2R,3R,4S,5R)-4-amino-5-ethyl-2-(hydroxymethyl)oxolan-3-ol
SMILESCC[C@H]1O[C@H](CO)[C@H](O)[C@@H]1N
InChIInChI=1S/C7H15NO3/c1-2-4-6(8)7(10)5(3-9)11-4/h4-7,9-10H,2-3,8H2,1H3/t4-,5-,6-,7+/m1/s1
InChIKeyBNOVKGDYLFBNDX-GBNDHIKLSA-N
MW161.20 g/mol
LogP-1.16
Rot. Bonds2

About (2R,3R,4S,5R)-4-amino-5-ethyl-2-(hydroxymethyl)oxolan-3-ol

(2R,3R,4S,5R)-4-amino-5-ethyl-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 129088072) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is (2R,3R,4S,5R)-4-amino-5-ethyl-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-4-amino-5-ethyl-2-(hydroxymethyl)oxolan-3-ol
PubChem CID129088072
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name(2R,3R,4S,5R)-4-amino-5-ethyl-2-(hydroxymethyl)oxolan-3-ol
SMILESCC[C@H]1O[C@H](CO)[C@H](O)[C@@H]1N
InChIInChI=1S/C7H15NO3/c1-2-4-6(8)7(10)5(3-9)11-4/h4-7,9-10H,2-3,8H2,1H3/t4-,5-,6-,7+/m1/s1
InChIKeyBNOVKGDYLFBNDX-GBNDHIKLSA-N
XLogP-1.16
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-6-ethyl-2-(hydroxymethyl)oxane-3,4-diol
CID 20760770
(2S,3S,5R)-2-ethyl-5-(hydroxymethyl)oxolane-3,4-diol
CID 59615653
(2R,3S,4R,5S,6R)-2-ethyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 131178866
(2R,4R,5R)-2-ethyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 89053522
(2R,5R)-2-ethyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 89021671
3-amino-2-ethyl-6-(hydroxymethyl)-5-(methoxymethyl)oxan-4-ol
CID 58884401
(2R,3R,4R,5S)-4-amino-2-(hydroxymethyl)-5-methoxyoxolan-3-ol
CID 57309160
(2R,3S,4S,5R)-3-amino-5-(hydroxymethyl)oxolane-2,4-diol
CID 55288704
(2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 173365188
(2S,3R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 69447261
(2R,3R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 130395874
(4R,5R)-5-amino-6-[[(3S,5S,6S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]methyl]-2-(hydroxymethyl)oxane-3,4-diol
CID 58771482

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-4-amino-5-ethyl-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3R,4S,5R)-4-amino-5-ethyl-2-(hydroxymethyl)oxolan-3-ol (CID 129088072) is (2R,3R,4S,5R)-4-amino-5-ethyl-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3R,4S,5R)-4-amino-5-ethyl-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3R,4S,5R)-4-amino-5-ethyl-2-(hydroxymethyl)oxolan-3-ol is CC[C@H]1O[C@H](CO)[C@H](O)[C@@H]1N.
What is the InChIKey of (2R,3R,4S,5R)-4-amino-5-ethyl-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is BNOVKGDYLFBNDX-GBNDHIKLSA-N. The full InChI is InChI=1S/C7H15NO3/c1-2-4-6(8)7(10)5(3-9)11-4/h4-7,9-10H,2-3,8H2,1H3/t4-,5-,6-,7+/m1/s1.
What are the key properties of (2R,3R,4S,5R)-4-amino-5-ethyl-2-(hydroxymethyl)oxolan-3-ol?
(2R,3R,4S,5R)-4-amino-5-ethyl-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 161.20 g/mol, XLogP of -1.16, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-4-amino-5-ethyl-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 129088072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).