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

C5H9NO3 — CID 21393673

IUPACN-(2-hydroxy-3-oxopropyl)acetamide
SMILESCC(=O)NCC(O)C=O
InChIInChI=1S/C5H9NO3/c1-4(8)6-2-5(9)3-7/h3,5,9H,2H2,1H3,(H,6,8)
InChIKeyIICLQLMZMUNQEW-UHFFFAOYSA-N
MW131.13 g/mol
LogP-1.32
Rot. Bonds3

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

N-(2-hydroxy-3-oxopropyl)acetamide (PubChem CID 21393673) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is N-(2-hydroxy-3-oxopropyl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-oxopropyl)acetamide
PubChem CID21393673
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC NameN-(2-hydroxy-3-oxopropyl)acetamide
SMILESCC(=O)NCC(O)C=O
InChIInChI=1S/C5H9NO3/c1-4(8)6-2-5(9)3-7/h3,5,9H,2H2,1H3,(H,6,8)
InChIKeyIICLQLMZMUNQEW-UHFFFAOYSA-N
XLogP-1.32
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-1.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-oxopropyl)acetamide?
The IUPAC name of N-(2-hydroxy-3-oxopropyl)acetamide (CID 21393673) is N-(2-hydroxy-3-oxopropyl)acetamide.
What is the SMILES notation for N-(2-hydroxy-3-oxopropyl)acetamide?
The canonical SMILES for N-(2-hydroxy-3-oxopropyl)acetamide is CC(=O)NCC(O)C=O.
What is the InChIKey of N-(2-hydroxy-3-oxopropyl)acetamide?
The InChIKey is IICLQLMZMUNQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3/c1-4(8)6-2-5(9)3-7/h3,5,9H,2H2,1H3,(H,6,8).
What are the key properties of N-(2-hydroxy-3-oxopropyl)acetamide?
N-(2-hydroxy-3-oxopropyl)acetamide has a molecular weight of 131.13 g/mol, XLogP of -1.32, 3 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)acetamide is sourced from PubChem (CID 21393673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).