2-acetamido-2-methoxyacetic acid

C5H9NO4 — CID 88602532

IUPAC2-acetamido-2-methoxyacetic acid
SMILESCOC(NC(C)=O)C(=O)O
InChIInChI=1S/C5H9NO4/c1-3(7)6-4(10-2)5(8)9/h4H,1-2H3,(H,6,7)(H,8,9)
InChIKeyRDOIZOGLGDFJHV-UHFFFAOYSA-N
MW147.13 g/mol
LogP-0.82
Rot. Bonds3

About 2-acetamido-2-methoxyacetic acid

2-acetamido-2-methoxyacetic acid (PubChem CID 88602532) has the molecular formula C5H9NO4 and a molecular weight of 147.13 g/mol. Its IUPAC name is 2-acetamido-2-methoxyacetic acid.

Molecular Properties

Compound Name2-acetamido-2-methoxyacetic acid
PubChem CID88602532
Molecular FormulaC5H9NO4
Molecular Weight147.13 g/mol
Exact Mass147.05
IUPAC Name2-acetamido-2-methoxyacetic acid
SMILESCOC(NC(C)=O)C(=O)O
InChIInChI=1S/C5H9NO4/c1-3(7)6-4(10-2)5(8)9/h4H,1-2H3,(H,6,7)(H,8,9)
InChIKeyRDOIZOGLGDFJHV-UHFFFAOYSA-N
XLogP-0.82
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-Ethoxyacetylglycine
CID 134082
[(2-Methoxyethyl)carbamoyl]formic acid
CID 16112027
Oxamic Acid/Ester, 25
CID 16112059
((Aminocarbonyl)amino)(methoxy)acetic acid
CID 325890
2-(2-Ethoxy-2-oxoacetamido)acetic acid
CID 45482712
2-(2-Acetamidoethoxy)acetic acid
CID 57148941
2-(2-Acetamidoacetyl)oxyacetic acid
CID 71459723
Methyl hydroxy[(methoxycarbonyl)amino]acetate
CID 11412561
Ethyl 2-hydroxyethyloxamate
CID 12253017
Methyl methoxy[(methoxycarbonyl)amino]acetate
CID 12344742
Acetamidoglycolic acid
CID 14212846
[(Ethoxycarbonyl)amino](hydroxy)acetic acid
CID 15130906

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-2-methoxyacetic acid?
The IUPAC name of 2-acetamido-2-methoxyacetic acid (CID 88602532) is 2-acetamido-2-methoxyacetic acid.
What is the SMILES notation for 2-acetamido-2-methoxyacetic acid?
The canonical SMILES for 2-acetamido-2-methoxyacetic acid is COC(NC(C)=O)C(=O)O.
What is the InChIKey of 2-acetamido-2-methoxyacetic acid?
The InChIKey is RDOIZOGLGDFJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO4/c1-3(7)6-4(10-2)5(8)9/h4H,1-2H3,(H,6,7)(H,8,9).
What are the key properties of 2-acetamido-2-methoxyacetic acid?
2-acetamido-2-methoxyacetic acid has a molecular weight of 147.13 g/mol, XLogP of -0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-2-methoxyacetic acid is sourced from PubChem (CID 88602532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).