4-amino-5-methoxy-2-methyloxan-3-ol

C7H15NO3 — CID 123892005

IUPAC4-amino-5-methoxy-2-methyloxan-3-ol
SMILESCOC1COC(C)C(O)C1N
InChIInChI=1S/C7H15NO3/c1-4-7(9)6(8)5(10-2)3-11-4/h4-7,9H,3,8H2,1-2H3
InChIKeyRFTJOWSHBMEUQK-UHFFFAOYSA-N
MW161.20 g/mol
LogP-0.89
Rot. Bonds1

About 4-amino-5-methoxy-2-methyloxan-3-ol

4-amino-5-methoxy-2-methyloxan-3-ol (PubChem CID 123892005) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 4-amino-5-methoxy-2-methyloxan-3-ol.

Molecular Properties

Compound Name4-amino-5-methoxy-2-methyloxan-3-ol
PubChem CID123892005
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name4-amino-5-methoxy-2-methyloxan-3-ol
SMILESCOC1COC(C)C(O)C1N
InChIInChI=1S/C7H15NO3/c1-4-7(9)6(8)5(10-2)3-11-4/h4-7,9H,3,8H2,1-2H3
InChIKeyRFTJOWSHBMEUQK-UHFFFAOYSA-N
XLogP-0.89
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methoxy-2-methyloxan-3-ol?
The IUPAC name of 4-amino-5-methoxy-2-methyloxan-3-ol (CID 123892005) is 4-amino-5-methoxy-2-methyloxan-3-ol.
What is the SMILES notation for 4-amino-5-methoxy-2-methyloxan-3-ol?
The canonical SMILES for 4-amino-5-methoxy-2-methyloxan-3-ol is COC1COC(C)C(O)C1N.
What is the InChIKey of 4-amino-5-methoxy-2-methyloxan-3-ol?
The InChIKey is RFTJOWSHBMEUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-4-7(9)6(8)5(10-2)3-11-4/h4-7,9H,3,8H2,1-2H3.
What are the key properties of 4-amino-5-methoxy-2-methyloxan-3-ol?
4-amino-5-methoxy-2-methyloxan-3-ol has a molecular weight of 161.20 g/mol, XLogP of -0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methoxy-2-methyloxan-3-ol is sourced from PubChem (CID 123892005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).