2-amino-2-methoxyacetic acid

C3H7NO3 — CID 23501104

IUPAC2-amino-2-methoxyacetic acid
SMILESCOC(N)C(=O)O
InChIInChI=1S/C3H7NO3/c1-7-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)
InChIKeyXYZVTJQQUFLMJY-UHFFFAOYSA-N
MW105.09 g/mol
LogP-1.00
Rot. Bonds2

About 2-amino-2-methoxyacetic acid

2-amino-2-methoxyacetic acid (PubChem CID 23501104) has the molecular formula C3H7NO3 and a molecular weight of 105.09 g/mol. Its IUPAC name is 2-amino-2-methoxyacetic acid.

Molecular Properties

Compound Name2-amino-2-methoxyacetic acid
PubChem CID23501104
Molecular FormulaC3H7NO3
Molecular Weight105.09 g/mol
Exact Mass105.04
IUPAC Name2-amino-2-methoxyacetic acid
SMILESCOC(N)C(=O)O
InChIInChI=1S/C3H7NO3/c1-7-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)
InChIKeyXYZVTJQQUFLMJY-UHFFFAOYSA-N
XLogP-1.00
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.09
LogP ≤ 5-1.00
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

2,3-dihydroxybutanedioic acid;bis(1-methoxyethanamine)
CID 174560140
2-amino-4,4-dimethoxybutanoic acid
CID 20649849
2,4-diamino-3-methoxy-4-oxobutanoic acid
CID 170163602
(2R,3R)-2-amino-3-methoxy-4-methylpentanoic acid
CID 131230204
(2S)-2-aminopropanoic acid
CID 18446182
(2S)-2-aminopropanoic acid
CID 5950
(2R)-2-aminopropanoic acid
CID 18611140
1-methoxyethanamine;2-oxopropanoic acid
CID 174574648
3-amino-2-methoxy-3-oxopropanoic acid
CID 19373134
2-amino-4-methoxypentanoic acid
CID 21255646
2-amino-3-hydroxy-4-methoxypentanoic acid
CID 131223230
3-[[(2R)-2-aminopropanoyl]amino]-2-methoxypropanoic acid
CID 106109032

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methoxyacetic acid?
The IUPAC name of 2-amino-2-methoxyacetic acid (CID 23501104) is 2-amino-2-methoxyacetic acid.
What is the SMILES notation for 2-amino-2-methoxyacetic acid?
The canonical SMILES for 2-amino-2-methoxyacetic acid is COC(N)C(=O)O.
What is the InChIKey of 2-amino-2-methoxyacetic acid?
The InChIKey is XYZVTJQQUFLMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO3/c1-7-2(4)3(5)6/h2H,4H2,1H3,(H,5,6).
What are the key properties of 2-amino-2-methoxyacetic acid?
2-amino-2-methoxyacetic acid has a molecular weight of 105.09 g/mol, XLogP of -1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methoxyacetic acid is sourced from PubChem (CID 23501104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).