(3S,4R,6R)-4-amino-2-methyl-6-propan-2-yloxan-3-ol

C9H19NO2 — CID 89411156

IUPAC(3S,4R,6R)-4-amino-2-methyl-6-propan-2-yloxan-3-ol
SMILESCC1O[C@@H](C(C)C)C[C@@H](N)[C@@H]1O
InChIInChI=1S/C9H19NO2/c1-5(2)8-4-7(10)9(11)6(3)12-8/h5-9,11H,4,10H2,1-3H3/t6?,7-,8-,9-/m1/s1
InChIKeyDNCMSIIYEFSLOT-FUZJYRNYSA-N
MW173.26 g/mol
LogP0.51
Rot. Bonds1

About (3S,4R,6R)-4-amino-2-methyl-6-propan-2-yloxan-3-ol

(3S,4R,6R)-4-amino-2-methyl-6-propan-2-yloxan-3-ol (PubChem CID 89411156) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (3S,4R,6R)-4-amino-2-methyl-6-propan-2-yloxan-3-ol.

Molecular Properties

Compound Name(3S,4R,6R)-4-amino-2-methyl-6-propan-2-yloxan-3-ol
PubChem CID89411156
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name(3S,4R,6R)-4-amino-2-methyl-6-propan-2-yloxan-3-ol
SMILESCC1O[C@@H](C(C)C)C[C@@H](N)[C@@H]1O
InChIInChI=1S/C9H19NO2/c1-5(2)8-4-7(10)9(11)6(3)12-8/h5-9,11H,4,10H2,1-3H3/t6?,7-,8-,9-/m1/s1
InChIKeyDNCMSIIYEFSLOT-FUZJYRNYSA-N
XLogP0.51
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R,6R)-4-amino-2-methyl-6-propan-2-yloxan-3-ol?
The IUPAC name of (3S,4R,6R)-4-amino-2-methyl-6-propan-2-yloxan-3-ol (CID 89411156) is (3S,4R,6R)-4-amino-2-methyl-6-propan-2-yloxan-3-ol.
What is the SMILES notation for (3S,4R,6R)-4-amino-2-methyl-6-propan-2-yloxan-3-ol?
The canonical SMILES for (3S,4R,6R)-4-amino-2-methyl-6-propan-2-yloxan-3-ol is CC1O[C@@H](C(C)C)C[C@@H](N)[C@@H]1O.
What is the InChIKey of (3S,4R,6R)-4-amino-2-methyl-6-propan-2-yloxan-3-ol?
The InChIKey is DNCMSIIYEFSLOT-FUZJYRNYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-5(2)8-4-7(10)9(11)6(3)12-8/h5-9,11H,4,10H2,1-3H3/t6?,7-,8-,9-/m1/s1.
What are the key properties of (3S,4R,6R)-4-amino-2-methyl-6-propan-2-yloxan-3-ol?
(3S,4R,6R)-4-amino-2-methyl-6-propan-2-yloxan-3-ol has a molecular weight of 173.26 g/mol, XLogP of 0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,6R)-4-amino-2-methyl-6-propan-2-yloxan-3-ol is sourced from PubChem (CID 89411156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).