2-amino-2-(hydroxymethyl)butane-1,3-diol

C5H13NO3 — CID 19877810

IUPAC2-amino-2-(hydroxymethyl)butane-1,3-diol
SMILESCC(O)C(N)(CO)CO
InChIInChI=1S/C5H13NO3/c1-4(9)5(6,2-7)3-8/h4,7-9H,2-3,6H2,1H3
InChIKeyAAZZFPIAQQLZTE-UHFFFAOYSA-N
MW135.16 g/mol
LogP-1.95
Rot. Bonds3

About 2-amino-2-(hydroxymethyl)butane-1,3-diol

2-amino-2-(hydroxymethyl)butane-1,3-diol (PubChem CID 19877810) has the molecular formula C5H13NO3 and a molecular weight of 135.16 g/mol. Its IUPAC name is 2-amino-2-(hydroxymethyl)butane-1,3-diol.

Molecular Properties

Compound Name2-amino-2-(hydroxymethyl)butane-1,3-diol
PubChem CID19877810
Molecular FormulaC5H13NO3
Molecular Weight135.16 g/mol
Exact Mass135.09
IUPAC Name2-amino-2-(hydroxymethyl)butane-1,3-diol
SMILESCC(O)C(N)(CO)CO
InChIInChI=1S/C5H13NO3/c1-4(9)5(6,2-7)3-8/h4,7-9H,2-3,6H2,1H3
InChIKeyAAZZFPIAQQLZTE-UHFFFAOYSA-N
XLogP-1.95
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.16
LogP ≤ 5-1.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

Tris(hydroxymethyl)aminomethane
CID 6503
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
2-Amino-2-methylbutan-1-ol
CID 10154017
3-Amino-3-methylbutan-2-ol
CID 13319222
Tris(hydroxy-D-methyl)amino-D2-methane, 98 atom % D
CID 16212086
3-Amino-3-methylbutan-2-ol hydrochloride
CID 13319223
1-(1-Aminocyclopropyl)ethan-1-ol
CID 66935111
1-(3-Aminooxetan-3-yl)ethan-1-ol
CID 163321395
3-Amino-3-methylbutane-1,2-diol hydrochloride
CID 165951063

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(hydroxymethyl)butane-1,3-diol?
The IUPAC name of 2-amino-2-(hydroxymethyl)butane-1,3-diol (CID 19877810) is 2-amino-2-(hydroxymethyl)butane-1,3-diol.
What is the SMILES notation for 2-amino-2-(hydroxymethyl)butane-1,3-diol?
The canonical SMILES for 2-amino-2-(hydroxymethyl)butane-1,3-diol is CC(O)C(N)(CO)CO.
What is the InChIKey of 2-amino-2-(hydroxymethyl)butane-1,3-diol?
The InChIKey is AAZZFPIAQQLZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO3/c1-4(9)5(6,2-7)3-8/h4,7-9H,2-3,6H2,1H3.
What are the key properties of 2-amino-2-(hydroxymethyl)butane-1,3-diol?
2-amino-2-(hydroxymethyl)butane-1,3-diol has a molecular weight of 135.16 g/mol, XLogP of -1.95, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(hydroxymethyl)butane-1,3-diol is sourced from PubChem (CID 19877810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).