2-acetamidopropanoic acid

C5H9NO3 — CID 7345

IUPAC2-acetamidopropanoic acid
SMILESCC(=O)NC(C)C(=O)O
InChIInChI=1S/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)
InChIKeyKTHDTJVBEPMMGL-UHFFFAOYSA-N
MW131.13 g/mol
LogP-0.40
Rot. Bonds2

About 2-acetamidopropanoic acid

2-acetamidopropanoic acid (PubChem CID 7345) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is 2-acetamidopropanoic acid.

Molecular Properties

Compound Name2-acetamidopropanoic acid
PubChem CID7345
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Name2-acetamidopropanoic acid
SMILESCC(=O)NC(C)C(=O)O
InChIInChI=1S/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)
InChIKeyKTHDTJVBEPMMGL-UHFFFAOYSA-N
XLogP-0.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-acetamidopropanoic acid?
The IUPAC name of 2-acetamidopropanoic acid (CID 7345) is 2-acetamidopropanoic acid.
What is the SMILES notation for 2-acetamidopropanoic acid?
The canonical SMILES for 2-acetamidopropanoic acid is CC(=O)NC(C)C(=O)O.
What is the InChIKey of 2-acetamidopropanoic acid?
The InChIKey is KTHDTJVBEPMMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9).
What are the key properties of 2-acetamidopropanoic acid?
2-acetamidopropanoic acid has a molecular weight of 131.13 g/mol, XLogP of -0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamidopropanoic acid is sourced from PubChem (CID 7345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).