N-(2-hydroxy-3-oxopropyl)formamide

C4H7NO3 — CID 19003967

IUPACN-(2-hydroxy-3-oxopropyl)formamide
SMILESO=CNCC(O)C=O
InChIInChI=1S/C4H7NO3/c6-2-4(8)1-5-3-7/h2-4,8H,1H2,(H,5,7)
InChIKeyUKGUUXGMYDOHII-UHFFFAOYSA-N
MW117.10 g/mol
LogP-1.71
Rot. Bonds4

About N-(2-hydroxy-3-oxopropyl)formamide

N-(2-hydroxy-3-oxopropyl)formamide (PubChem CID 19003967) has the molecular formula C4H7NO3 and a molecular weight of 117.10 g/mol. Its IUPAC name is N-(2-hydroxy-3-oxopropyl)formamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-oxopropyl)formamide
PubChem CID19003967
Molecular FormulaC4H7NO3
Molecular Weight117.10 g/mol
Exact Mass117.04
IUPAC NameN-(2-hydroxy-3-oxopropyl)formamide
SMILESO=CNCC(O)C=O
InChIInChI=1S/C4H7NO3/c6-2-4(8)1-5-3-7/h2-4,8H,1H2,(H,5,7)
InChIKeyUKGUUXGMYDOHII-UHFFFAOYSA-N
XLogP-1.71
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.10
LogP ≤ 5-1.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-(2-hydroxy-3-oxopropyl)formamide 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-hydroxy-3-oxopropyl)formamide?
The IUPAC name of N-(2-hydroxy-3-oxopropyl)formamide (CID 19003967) is N-(2-hydroxy-3-oxopropyl)formamide.
What is the SMILES notation for N-(2-hydroxy-3-oxopropyl)formamide?
The canonical SMILES for N-(2-hydroxy-3-oxopropyl)formamide is O=CNCC(O)C=O.
What is the InChIKey of N-(2-hydroxy-3-oxopropyl)formamide?
The InChIKey is UKGUUXGMYDOHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO3/c6-2-4(8)1-5-3-7/h2-4,8H,1H2,(H,5,7).
What are the key properties of N-(2-hydroxy-3-oxopropyl)formamide?
N-(2-hydroxy-3-oxopropyl)formamide has a molecular weight of 117.10 g/mol, XLogP of -1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-oxopropyl)formamide is sourced from PubChem (CID 19003967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).