2-acetamidoacetic acid

C4H7NO3 — CID 10972

IUPAC2-acetamidoacetic acid
SMILESCC(=O)NCC(=O)O
InChIInChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)
InChIKeyOKJIRPAQVSHGFK-UHFFFAOYSA-N
MW117.10 g/mol
LogP-0.79
Rot. Bonds2

About 2-acetamidoacetic acid

2-acetamidoacetic acid (PubChem CID 10972) has the molecular formula C4H7NO3 and a molecular weight of 117.10 g/mol. Its IUPAC name is 2-acetamidoacetic acid.

Molecular Properties

Compound Name2-acetamidoacetic acid
PubChem CID10972
Molecular FormulaC4H7NO3
Molecular Weight117.10 g/mol
Exact Mass117.04
IUPAC Name2-acetamidoacetic acid
SMILESCC(=O)NCC(=O)O
InChIInChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)
InChIKeyOKJIRPAQVSHGFK-UHFFFAOYSA-N
XLogP-0.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.10
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-acetamidoacetic acid with MolForge

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

Launch Full Analysis

Related Compounds

Glycylglycine
CID 11163
N-Acetyl-L-alanine
CID 88064
Isobutyrylglycine
CID 10855600
Butyrylglycine
CID 88412
Glycylglycylglycine
CID 11161
N-Ethylglycine
CID 316542
Propionylglycine
CID 98681
N-Oxalylglycine
CID 3080614
N-(trifluoroacetyl)aminoacetic acid
CID 136227
Methyl 2-acetamidoacetate
CID 517966
N-acetyl-D-alanine
CID 132213
[(Propan-2-yl)carbamoyl]formic acid
CID 7183008

Frequently Asked Questions

What is the IUPAC name of 2-acetamidoacetic acid?
The IUPAC name of 2-acetamidoacetic acid (CID 10972) is 2-acetamidoacetic acid.
What is the SMILES notation for 2-acetamidoacetic acid?
The canonical SMILES for 2-acetamidoacetic acid is CC(=O)NCC(=O)O.
What is the InChIKey of 2-acetamidoacetic acid?
The InChIKey is OKJIRPAQVSHGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8).
What are the key properties of 2-acetamidoacetic acid?
2-acetamidoacetic acid has a molecular weight of 117.10 g/mol, XLogP of -0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamidoacetic acid is sourced from PubChem (CID 10972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).