(2R,3S,4S,5R)-2-[[[(2R)-butan-2-yl]amino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol

C10H21NO4 — CID 44585235

IUPAC(2R,3S,4S,5R)-2-[[[(2R)-butan-2-yl]amino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol
SMILESCC[C@@H](C)NC[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C10H21NO4/c1-3-6(2)11-4-7-9(13)10(14)8(5-12)15-7/h6-14H,3-5H2,1-2H3/t6-,7-,8-,9-,10-/m1/s1
InChIKeyDOHKOKHNNYSXLZ-VVULQXIFSA-N
MW219.28 g/mol
LogP-1.14
Rot. Bonds5

About (2R,3S,4S,5R)-2-[[[(2R)-butan-2-yl]amino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol

(2R,3S,4S,5R)-2-[[[(2R)-butan-2-yl]amino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 44585235) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is (2R,3S,4S,5R)-2-[[[(2R)-butan-2-yl]amino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4S,5R)-2-[[[(2R)-butan-2-yl]amino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID44585235
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Name(2R,3S,4S,5R)-2-[[[(2R)-butan-2-yl]amino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol
SMILESCC[C@@H](C)NC[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C10H21NO4/c1-3-6(2)11-4-7-9(13)10(14)8(5-12)15-7/h6-14H,3-5H2,1-2H3/t6-,7-,8-,9-,10-/m1/s1
InChIKeyDOHKOKHNNYSXLZ-VVULQXIFSA-N
XLogP-1.14
TPSA81.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 5-1.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2R,3S,4S,5R)-2-[[[(2R)-butan-2-yl]amino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-2-[[[(2R)-butan-2-yl]amino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (2R,3S,4S,5R)-2-[[[(2R)-butan-2-yl]amino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol (CID 44585235) is (2R,3S,4S,5R)-2-[[[(2R)-butan-2-yl]amino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4S,5R)-2-[[[(2R)-butan-2-yl]amino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4S,5R)-2-[[[(2R)-butan-2-yl]amino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol is CC[C@@H](C)NC[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5R)-2-[[[(2R)-butan-2-yl]amino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is DOHKOKHNNYSXLZ-VVULQXIFSA-N. The full InChI is InChI=1S/C10H21NO4/c1-3-6(2)11-4-7-9(13)10(14)8(5-12)15-7/h6-14H,3-5H2,1-2H3/t6-,7-,8-,9-,10-/m1/s1.
What are the key properties of (2R,3S,4S,5R)-2-[[[(2R)-butan-2-yl]amino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol?
(2R,3S,4S,5R)-2-[[[(2R)-butan-2-yl]amino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 219.28 g/mol, XLogP of -1.14, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-2-[[[(2R)-butan-2-yl]amino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 44585235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).