2-amino-2-methylpropane-1,3-diol;propan-2-ol

C7H19NO3 — CID 18519501

IUPAC2-amino-2-methylpropane-1,3-diol;propan-2-ol
SMILESCC(C)O.CC(N)(CO)CO
InChIInChI=1S/C4H11NO2.C3H8O/c1-4(5,2-6)3-7;1-3(2)4/h6-7H,2-3,5H2,1H3;3-4H,1-2H3
InChIKeyIJEWZDUMYUFEFP-UHFFFAOYSA-N
MW165.23 g/mol
LogP-0.92
Rot. Bonds2

About 2-amino-2-methylpropane-1,3-diol;propan-2-ol

2-amino-2-methylpropane-1,3-diol;propan-2-ol (PubChem CID 18519501) has the molecular formula C7H19NO3 and a molecular weight of 165.23 g/mol. Its IUPAC name is 2-amino-2-methylpropane-1,3-diol;propan-2-ol.

Molecular Properties

Compound Name2-amino-2-methylpropane-1,3-diol;propan-2-ol
PubChem CID18519501
Molecular FormulaC7H19NO3
Molecular Weight165.23 g/mol
Exact Mass165.14
IUPAC Name2-amino-2-methylpropane-1,3-diol;propan-2-ol
SMILESCC(C)O.CC(N)(CO)CO
InChIInChI=1S/C4H11NO2.C3H8O/c1-4(5,2-6)3-7;1-3(2)4/h6-7H,2-3,5H2,1H3;3-4H,1-2H3
InChIKeyIJEWZDUMYUFEFP-UHFFFAOYSA-N
XLogP-0.92
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.23
LogP ≤ 5-0.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 6503
Tromethamine hydrochloride
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2-Amino-2-methyl-1,3-propanediol
CID 1531
2-Amino-2-ethyl-1,3-propanediol
CID 8282
Htris
CID 3777159
Tris(hydroxymethyl-d3)amino-d2-methane
CID 16212934
3-Amino-3-methylbutan-2-ol
CID 13319222
2-Amino-3-methoxy-2-methylpropan-1-ol
CID 13375415
3-Amino-3-methylbutan-2-ol hydrochloride
CID 13319223
2-Amino-2-(hydroxymethyl)propane-1,3-diol;hydron
CID 88088752
Tris(hydroxy-D-methyl)amino-D2-methane, 98 atom % D
CID 16212086
[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl]azanium;hydron
CID 169552794

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methylpropane-1,3-diol;propan-2-ol?
The IUPAC name of 2-amino-2-methylpropane-1,3-diol;propan-2-ol (CID 18519501) is 2-amino-2-methylpropane-1,3-diol;propan-2-ol.
What is the SMILES notation for 2-amino-2-methylpropane-1,3-diol;propan-2-ol?
The canonical SMILES for 2-amino-2-methylpropane-1,3-diol;propan-2-ol is CC(C)O.CC(N)(CO)CO.
What is the InChIKey of 2-amino-2-methylpropane-1,3-diol;propan-2-ol?
The InChIKey is IJEWZDUMYUFEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2.C3H8O/c1-4(5,2-6)3-7;1-3(2)4/h6-7H,2-3,5H2,1H3;3-4H,1-2H3.
What are the key properties of 2-amino-2-methylpropane-1,3-diol;propan-2-ol?
2-amino-2-methylpropane-1,3-diol;propan-2-ol has a molecular weight of 165.23 g/mol, XLogP of -0.92, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methylpropane-1,3-diol;propan-2-ol is sourced from PubChem (CID 18519501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).