[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]azanium

C4H12NO3+ — CID 3777159

IUPAC[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]azanium
SMILES[NH3+]C(CO)(CO)CO
InChIInChI=1S/C4H11NO3/c5-4(1-6,2-7)3-8/h6-8H,1-3,5H2/p+1
InChIKeyLENZDBCJOHFCAS-UHFFFAOYSA-O
MW122.14 g/mol
LogP-3.06
Rot. Bonds3

About [1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]azanium

[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]azanium (PubChem CID 3777159) has the molecular formula C4H12NO3+ and a molecular weight of 122.14 g/mol. Its IUPAC name is [1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]azanium.

Molecular Properties

Compound Name[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]azanium
PubChem CID3777159
Molecular FormulaC4H12NO3+
Molecular Weight122.14 g/mol
Exact Mass122.08
IUPAC Name[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]azanium
SMILES[NH3+]C(CO)(CO)CO
InChIInChI=1S/C4H11NO3/c5-4(1-6,2-7)3-8/h6-8H,1-3,5H2/p+1
InChIKeyLENZDBCJOHFCAS-UHFFFAOYSA-O
XLogP-3.06
TPSA88.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.14
LogP ≤ 5-3.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]azanium?
The IUPAC name of [1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]azanium (CID 3777159) is [1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]azanium.
What is the SMILES notation for [1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]azanium?
The canonical SMILES for [1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]azanium is [NH3+]C(CO)(CO)CO.
What is the InChIKey of [1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]azanium?
The InChIKey is LENZDBCJOHFCAS-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H11NO3/c5-4(1-6,2-7)3-8/h6-8H,1-3,5H2/p+1.
What are the key properties of [1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]azanium?
[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]azanium has a molecular weight of 122.14 g/mol, XLogP of -3.06, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]azanium is sourced from PubChem (CID 3777159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).