[2-amino-3-hydroxy-2-(hydroxymethyl)propyl] acetate

C6H13NO4 — CID 18427269

IUPAC[2-amino-3-hydroxy-2-(hydroxymethyl)propyl] acetate
SMILESCC(=O)OCC(N)(CO)CO
InChIInChI=1S/C6H13NO4/c1-5(10)11-4-6(7,2-8)3-9/h8-9H,2-4,7H2,1H3
InChIKeyNDXKUNBIZWJIMN-UHFFFAOYSA-N
MW163.17 g/mol
LogP-1.77
Rot. Bonds4

About [2-amino-3-hydroxy-2-(hydroxymethyl)propyl] acetate

[2-amino-3-hydroxy-2-(hydroxymethyl)propyl] acetate (PubChem CID 18427269) has the molecular formula C6H13NO4 and a molecular weight of 163.17 g/mol. Its IUPAC name is [2-amino-3-hydroxy-2-(hydroxymethyl)propyl] acetate.

Molecular Properties

Compound Name[2-amino-3-hydroxy-2-(hydroxymethyl)propyl] acetate
PubChem CID18427269
Molecular FormulaC6H13NO4
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name[2-amino-3-hydroxy-2-(hydroxymethyl)propyl] acetate
SMILESCC(=O)OCC(N)(CO)CO
InChIInChI=1S/C6H13NO4/c1-5(10)11-4-6(7,2-8)3-9/h8-9H,2-4,7H2,1H3
InChIKeyNDXKUNBIZWJIMN-UHFFFAOYSA-N
XLogP-1.77
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 5-1.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [2-amino-3-hydroxy-2-(hydroxymethyl)propyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-amino-3-hydroxy-2-(hydroxymethyl)propyl] acetate?
The IUPAC name of [2-amino-3-hydroxy-2-(hydroxymethyl)propyl] acetate (CID 18427269) is [2-amino-3-hydroxy-2-(hydroxymethyl)propyl] acetate.
What is the SMILES notation for [2-amino-3-hydroxy-2-(hydroxymethyl)propyl] acetate?
The canonical SMILES for [2-amino-3-hydroxy-2-(hydroxymethyl)propyl] acetate is CC(=O)OCC(N)(CO)CO.
What is the InChIKey of [2-amino-3-hydroxy-2-(hydroxymethyl)propyl] acetate?
The InChIKey is NDXKUNBIZWJIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4/c1-5(10)11-4-6(7,2-8)3-9/h8-9H,2-4,7H2,1H3.
What are the key properties of [2-amino-3-hydroxy-2-(hydroxymethyl)propyl] acetate?
[2-amino-3-hydroxy-2-(hydroxymethyl)propyl] acetate has a molecular weight of 163.17 g/mol, XLogP of -1.77, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-3-hydroxy-2-(hydroxymethyl)propyl] acetate is sourced from PubChem (CID 18427269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).