(4S,5S)-5-amino-2,2-dimethyloxan-4-ol

C7H15NO2 — CID 118036455

IUPAC(4S,5S)-5-amino-2,2-dimethyloxan-4-ol
SMILESCC1(C)C[C@H](O)[C@@H](N)CO1
InChIInChI=1S/C7H15NO2/c1-7(2)3-6(9)5(8)4-10-7/h5-6,9H,3-4,8H2,1-2H3/t5-,6-/m0/s1
InChIKeyFPLFEOSCMSVSJN-WDSKDSINSA-N
MW145.20 g/mol
LogP-0.13
Rot. Bonds

About (4S,5S)-5-amino-2,2-dimethyloxan-4-ol

(4S,5S)-5-amino-2,2-dimethyloxan-4-ol (PubChem CID 118036455) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is (4S,5S)-5-amino-2,2-dimethyloxan-4-ol.

Molecular Properties

Compound Name(4S,5S)-5-amino-2,2-dimethyloxan-4-ol
PubChem CID118036455
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name(4S,5S)-5-amino-2,2-dimethyloxan-4-ol
SMILESCC1(C)C[C@H](O)[C@@H](N)CO1
InChIInChI=1S/C7H15NO2/c1-7(2)3-6(9)5(8)4-10-7/h5-6,9H,3-4,8H2,1-2H3/t5-,6-/m0/s1
InChIKeyFPLFEOSCMSVSJN-WDSKDSINSA-N
XLogP-0.13
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-amino-2,2-dimethyloxan-4-ol?
The IUPAC name of (4S,5S)-5-amino-2,2-dimethyloxan-4-ol (CID 118036455) is (4S,5S)-5-amino-2,2-dimethyloxan-4-ol.
What is the SMILES notation for (4S,5S)-5-amino-2,2-dimethyloxan-4-ol?
The canonical SMILES for (4S,5S)-5-amino-2,2-dimethyloxan-4-ol is CC1(C)C[C@H](O)[C@@H](N)CO1.
What is the InChIKey of (4S,5S)-5-amino-2,2-dimethyloxan-4-ol?
The InChIKey is FPLFEOSCMSVSJN-WDSKDSINSA-N. The full InChI is InChI=1S/C7H15NO2/c1-7(2)3-6(9)5(8)4-10-7/h5-6,9H,3-4,8H2,1-2H3/t5-,6-/m0/s1.
What are the key properties of (4S,5S)-5-amino-2,2-dimethyloxan-4-ol?
(4S,5S)-5-amino-2,2-dimethyloxan-4-ol has a molecular weight of 145.20 g/mol, XLogP of -0.13, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-amino-2,2-dimethyloxan-4-ol is sourced from PubChem (CID 118036455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).