2-[formyl(methyl)amino]acetic acid

C4H7NO3 — CID 11789184

IUPAC2-[formyl(methyl)amino]acetic acid
SMILESCN(C=O)CC(=O)O
InChIInChI=1S/C4H7NO3/c1-5(3-6)2-4(7)8/h3H,2H2,1H3,(H,7,8)
InChIKeyCGENPBMSAIVDAP-UHFFFAOYSA-N
MW117.10 g/mol
LogP-0.84
Rot. Bonds3

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

2-[formyl(methyl)amino]acetic acid (PubChem CID 11789184) has the molecular formula C4H7NO3 and a molecular weight of 117.10 g/mol. Its IUPAC name is 2-[formyl(methyl)amino]acetic acid.

Molecular Properties

Compound Name2-[formyl(methyl)amino]acetic acid
PubChem CID11789184
Molecular FormulaC4H7NO3
Molecular Weight117.10 g/mol
Exact Mass117.04
IUPAC Name2-[formyl(methyl)amino]acetic acid
SMILESCN(C=O)CC(=O)O
InChIInChI=1S/C4H7NO3/c1-5(3-6)2-4(7)8/h3H,2H2,1H3,(H,7,8)
InChIKeyCGENPBMSAIVDAP-UHFFFAOYSA-N
XLogP-0.84
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.10
LogP ≤ 5-0.84
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]acetic acid?
The IUPAC name of 2-[formyl(methyl)amino]acetic acid (CID 11789184) is 2-[formyl(methyl)amino]acetic acid.
What is the SMILES notation for 2-[formyl(methyl)amino]acetic acid?
The canonical SMILES for 2-[formyl(methyl)amino]acetic acid is CN(C=O)CC(=O)O.
What is the InChIKey of 2-[formyl(methyl)amino]acetic acid?
The InChIKey is CGENPBMSAIVDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO3/c1-5(3-6)2-4(7)8/h3H,2H2,1H3,(H,7,8).
What are the key properties of 2-[formyl(methyl)amino]acetic acid?
2-[formyl(methyl)amino]acetic acid has a molecular weight of 117.10 g/mol, XLogP of -0.84, 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]acetic acid is sourced from PubChem (CID 11789184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).