N,2,3-trihydroxypropanamide

C3H7NO4 — CID 91129165

IUPACN,2,3-trihydroxypropanamide
SMILESO=C(NO)C(O)CO
InChIInChI=1S/C3H7NO4/c5-1-2(6)3(7)4-8/h2,5-6,8H,1H2,(H,4,7)
InChIKeyVHUSHGYHIDFBJH-UHFFFAOYSA-N
MW121.09 g/mol
LogP-2.15
Rot. Bonds2

About N,2,3-trihydroxypropanamide

N,2,3-trihydroxypropanamide (PubChem CID 91129165) has the molecular formula C3H7NO4 and a molecular weight of 121.09 g/mol. Its IUPAC name is N,2,3-trihydroxypropanamide.

Molecular Properties

Compound NameN,2,3-trihydroxypropanamide
PubChem CID91129165
Molecular FormulaC3H7NO4
Molecular Weight121.09 g/mol
Exact Mass121.04
IUPAC NameN,2,3-trihydroxypropanamide
SMILESO=C(NO)C(O)CO
InChIInChI=1S/C3H7NO4/c5-1-2(6)3(7)4-8/h2,5-6,8H,1H2,(H,4,7)
InChIKeyVHUSHGYHIDFBJH-UHFFFAOYSA-N
XLogP-2.15
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.09
LogP ≤ 5-2.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N,2,3-trihydroxypropanamide 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 N,2,3-trihydroxypropanamide?
The IUPAC name of N,2,3-trihydroxypropanamide (CID 91129165) is N,2,3-trihydroxypropanamide.
What is the SMILES notation for N,2,3-trihydroxypropanamide?
The canonical SMILES for N,2,3-trihydroxypropanamide is O=C(NO)C(O)CO.
What is the InChIKey of N,2,3-trihydroxypropanamide?
The InChIKey is VHUSHGYHIDFBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO4/c5-1-2(6)3(7)4-8/h2,5-6,8H,1H2,(H,4,7).
What are the key properties of N,2,3-trihydroxypropanamide?
N,2,3-trihydroxypropanamide has a molecular weight of 121.09 g/mol, XLogP of -2.15, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3-trihydroxypropanamide is sourced from PubChem (CID 91129165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).