2-[formyl(methyl)amino]propanoic acid

C5H9NO3 — CID 23279436

IUPAC2-[formyl(methyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C)C=O
InChIInChI=1S/C5H9NO3/c1-4(5(8)9)6(2)3-7/h3-4H,1-2H3,(H,8,9)
InChIKeyRYZPFRUIQKPASF-UHFFFAOYSA-N
MW131.13 g/mol
LogP-0.45
Rot. Bonds3

About 2-[formyl(methyl)amino]propanoic acid

2-[formyl(methyl)amino]propanoic acid (PubChem CID 23279436) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is 2-[formyl(methyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[formyl(methyl)amino]propanoic acid
PubChem CID23279436
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Name2-[formyl(methyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C)C=O
InChIInChI=1S/C5H9NO3/c1-4(5(8)9)6(2)3-7/h3-4H,1-2H3,(H,8,9)
InChIKeyRYZPFRUIQKPASF-UHFFFAOYSA-N
XLogP-0.45
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[formyl(methyl)amino]propanoic acid?
The IUPAC name of 2-[formyl(methyl)amino]propanoic acid (CID 23279436) is 2-[formyl(methyl)amino]propanoic acid.
What is the SMILES notation for 2-[formyl(methyl)amino]propanoic acid?
The canonical SMILES for 2-[formyl(methyl)amino]propanoic acid is CC(C(=O)O)N(C)C=O.
What is the InChIKey of 2-[formyl(methyl)amino]propanoic acid?
The InChIKey is RYZPFRUIQKPASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3/c1-4(5(8)9)6(2)3-7/h3-4H,1-2H3,(H,8,9).
What are the key properties of 2-[formyl(methyl)amino]propanoic acid?
2-[formyl(methyl)amino]propanoic acid has a molecular weight of 131.13 g/mol, XLogP of -0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[formyl(methyl)amino]propanoic acid is sourced from PubChem (CID 23279436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).