(2R)-2-aminooxy-3-methoxypropanoic acid

C4H9NO4 — CID 124680851

IUPAC(2R)-2-aminooxy-3-methoxypropanoic acid
SMILESCOC[C@@H](ON)C(=O)O
InChIInChI=1S/C4H9NO4/c1-8-2-3(9-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1
InChIKeyFADTZCJSZDBCPF-GSVOUGTGSA-N
MW135.12 g/mol
LogP-1.02
Rot. Bonds4

About (2R)-2-aminooxy-3-methoxypropanoic acid

(2R)-2-aminooxy-3-methoxypropanoic acid (PubChem CID 124680851) has the molecular formula C4H9NO4 and a molecular weight of 135.12 g/mol. Its IUPAC name is (2R)-2-aminooxy-3-methoxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-aminooxy-3-methoxypropanoic acid
PubChem CID124680851
Molecular FormulaC4H9NO4
Molecular Weight135.12 g/mol
Exact Mass135.05
IUPAC Name(2R)-2-aminooxy-3-methoxypropanoic acid
SMILESCOC[C@@H](ON)C(=O)O
InChIInChI=1S/C4H9NO4/c1-8-2-3(9-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1
InChIKeyFADTZCJSZDBCPF-GSVOUGTGSA-N
XLogP-1.02
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.12
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-2-(2-propan-2-yloxyethoxy)propanoic acid
CID 103223987
2-(2-hydroxyethoxy)-3-methoxypropanoic acid
CID 168724097
3-methoxy-2-(2-methylbutan-2-yloxy)propanoic acid
CID 103224006
2-aminooxy-4-methylsulfanylbutanoic acid
CID 548373
2-(4-formylphenoxy)-3-methoxypropanoic acid
CID 103224047
(2R,4S,5R)-2,4,5,6-tetramethoxyhexanoic acid
CID 101261454
2-(3,5-dichlorophenoxy)-3-methoxypropanoic acid
CID 69114724
3-methoxy-2-(2-methoxyphenoxy)propanoic acid
CID 103223945
2-amino-3-(2-methoxyethoxy)propanoic acid
CID 20596399
4-methoxy-2,3-dimethylbutanoic acid
CID 79418013
3-methoxy-2-(4-propan-2-ylphenoxy)propanoic acid
CID 103223931
2-[2-(2-methoxyethoxy)ethoxy]butanoic acid
CID 18318696

Frequently Asked Questions

What is the IUPAC name of (2R)-2-aminooxy-3-methoxypropanoic acid?
The IUPAC name of (2R)-2-aminooxy-3-methoxypropanoic acid (CID 124680851) is (2R)-2-aminooxy-3-methoxypropanoic acid.
What is the SMILES notation for (2R)-2-aminooxy-3-methoxypropanoic acid?
The canonical SMILES for (2R)-2-aminooxy-3-methoxypropanoic acid is COC[C@@H](ON)C(=O)O.
What is the InChIKey of (2R)-2-aminooxy-3-methoxypropanoic acid?
The InChIKey is FADTZCJSZDBCPF-GSVOUGTGSA-N. The full InChI is InChI=1S/C4H9NO4/c1-8-2-3(9-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1.
What are the key properties of (2R)-2-aminooxy-3-methoxypropanoic acid?
(2R)-2-aminooxy-3-methoxypropanoic acid has a molecular weight of 135.12 g/mol, XLogP of -1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-aminooxy-3-methoxypropanoic acid is sourced from PubChem (CID 124680851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).