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

C4H11NO3 — CID 6503

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IUPAC2-amino-2-(hydroxymethyl)propane-1,3-diol
SMILESNC(CO)(CO)CO
InChIInChI=1S/C4H11NO3/c5-4(1-6,2-7)3-8/h6-8H,1-3,5H2
InChIKeyLENZDBCJOHFCAS-UHFFFAOYSA-N
MW121.14 g/mol
LogP-2.34
Rot. Bonds3

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

2-amino-2-(hydroxymethyl)propane-1,3-diol (PubChem CID 6503) has the molecular formula C4H11NO3 and a molecular weight of 121.14 g/mol. Its IUPAC name is 2-amino-2-(hydroxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-amino-2-(hydroxymethyl)propane-1,3-diol
PubChem CID6503
Molecular FormulaC4H11NO3
Molecular Weight121.14 g/mol
Exact Mass121.07
IUPAC Name2-amino-2-(hydroxymethyl)propane-1,3-diol
SMILESNC(CO)(CO)CO
InChIInChI=1S/C4H11NO3/c5-4(1-6,2-7)3-8/h6-8H,1-3,5H2
InChIKeyLENZDBCJOHFCAS-UHFFFAOYSA-N
XLogP-2.34
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 5-2.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-2-methyl-1-propanol
CID 11807
2-Amino-2-methyl-1,3-propanediol
CID 1531
2-Amino-2-ethyl-1,3-propanediol
CID 8282
Tromethamine hydrochloride
CID 93573
Htris
CID 3777159
2-Amino-2-methyl-1-propanol hydrochloride
CID 76673
1,3-Propanediol, 2-amino-2-(hydroxymethyl)-, sulfate (1:?)
CID 44722141
Tris(hydroxymethyl-d3)amino-d2-methane
CID 16212934
2-Amino-3-methoxy-2-methylpropan-1-ol
CID 13375415
Tris(hydroxymethyl)aminomethane sulfate
CID 21841844
Carbonic acid, compd. with 2-amino-2-(hydroxymethyl)-1,3-propanediol (1:1)
CID 176335
(3-Aminooxetan-3-yl)methanol
CID 53346589

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(hydroxymethyl)propane-1,3-diol?
The IUPAC name of 2-amino-2-(hydroxymethyl)propane-1,3-diol (CID 6503) is 2-amino-2-(hydroxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-amino-2-(hydroxymethyl)propane-1,3-diol?
The canonical SMILES for 2-amino-2-(hydroxymethyl)propane-1,3-diol is NC(CO)(CO)CO.
What is the InChIKey of 2-amino-2-(hydroxymethyl)propane-1,3-diol?
The InChIKey is LENZDBCJOHFCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO3/c5-4(1-6,2-7)3-8/h6-8H,1-3,5H2.
What are the key properties of 2-amino-2-(hydroxymethyl)propane-1,3-diol?
2-amino-2-(hydroxymethyl)propane-1,3-diol has a molecular weight of 121.14 g/mol, XLogP of -2.34, 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)propane-1,3-diol is sourced from PubChem (CID 6503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).