1-amino-3-methoxy-2-methylpropan-2-ol

C5H13NO2 — CID 54592891

IUPAC1-amino-3-methoxy-2-methylpropan-2-ol
SMILESCOCC(C)(O)CN
InChIInChI=1S/C5H13NO2/c1-5(7,3-6)4-8-2/h7H,3-4,6H2,1-2H3
InChIKeyXADTUXGTPMQVJD-UHFFFAOYSA-N
MW119.16 g/mol
LogP-0.66
Rot. Bonds3

About 1-amino-3-methoxy-2-methylpropan-2-ol

1-amino-3-methoxy-2-methylpropan-2-ol (PubChem CID 54592891) has the molecular formula C5H13NO2 and a molecular weight of 119.16 g/mol. Its IUPAC name is 1-amino-3-methoxy-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-methoxy-2-methylpropan-2-ol
PubChem CID54592891
Molecular FormulaC5H13NO2
Molecular Weight119.16 g/mol
Exact Mass119.09
IUPAC Name1-amino-3-methoxy-2-methylpropan-2-ol
SMILESCOCC(C)(O)CN
InChIInChI=1S/C5H13NO2/c1-5(7,3-6)4-8-2/h7H,3-4,6H2,1-2H3
InChIKeyXADTUXGTPMQVJD-UHFFFAOYSA-N
XLogP-0.66
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.16
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-methoxy-2-methylpropan-2-ol?
The IUPAC name of 1-amino-3-methoxy-2-methylpropan-2-ol (CID 54592891) is 1-amino-3-methoxy-2-methylpropan-2-ol.
What is the SMILES notation for 1-amino-3-methoxy-2-methylpropan-2-ol?
The canonical SMILES for 1-amino-3-methoxy-2-methylpropan-2-ol is COCC(C)(O)CN.
What is the InChIKey of 1-amino-3-methoxy-2-methylpropan-2-ol?
The InChIKey is XADTUXGTPMQVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2/c1-5(7,3-6)4-8-2/h7H,3-4,6H2,1-2H3.
What are the key properties of 1-amino-3-methoxy-2-methylpropan-2-ol?
1-amino-3-methoxy-2-methylpropan-2-ol has a molecular weight of 119.16 g/mol, XLogP of -0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-methoxy-2-methylpropan-2-ol is sourced from PubChem (CID 54592891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).