3-(azidomethoxy)-2-hydroxy-3-oxopropanoic acid

C4H5N3O5 — CID 126711877

IUPAC3-(azidomethoxy)-2-hydroxy-3-oxopropanoic acid
SMILES[N-]=[N+]=NCOC(=O)C(O)C(=O)O
InChIInChI=1S/C4H5N3O5/c5-7-6-1-12-4(11)2(8)3(9)10/h2,8H,1H2,(H,9,10)
InChIKeyHQZXZNOQJWITRY-UHFFFAOYSA-N
MW175.10 g/mol
LogP-0.76
Rot. Bonds4

About 3-(azidomethoxy)-2-hydroxy-3-oxopropanoic acid

3-(azidomethoxy)-2-hydroxy-3-oxopropanoic acid (PubChem CID 126711877) has the molecular formula C4H5N3O5 and a molecular weight of 175.10 g/mol. Its IUPAC name is 3-(azidomethoxy)-2-hydroxy-3-oxopropanoic acid.

Molecular Properties

Compound Name3-(azidomethoxy)-2-hydroxy-3-oxopropanoic acid
PubChem CID126711877
Molecular FormulaC4H5N3O5
Molecular Weight175.10 g/mol
Exact Mass175.02
IUPAC Name3-(azidomethoxy)-2-hydroxy-3-oxopropanoic acid
SMILES[N-]=[N+]=NCOC(=O)C(O)C(=O)O
InChIInChI=1S/C4H5N3O5/c5-7-6-1-12-4(11)2(8)3(9)10/h2,8H,1H2,(H,9,10)
InChIKeyHQZXZNOQJWITRY-UHFFFAOYSA-N
XLogP-0.76
TPSA132.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.10
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

azidomethyl hydrogen carbonate
CID 150627591
azidomethyl 2,3-dihydroxypropanoate
CID 126711905
azidomethyl 3-methylbutanoate
CID 152605157
bis(azidomethyl) pentanedioate
CID 118634110
azidomethyl N-aminocarbamate
CID 118181996
2-hydroxy-3-oxo-3-(2,2,2-trichloroethoxy)propanoic acid
CID 88841041
2-hydroxy-3-oxo-3-propoxypropanoic acid
CID 21477330
(2R)-3-azido-2-methylpropanoic acid
CID 13116883
(2S,3S)-2-amino-4-azido-3-methylbutanoic acid
CID 162717706
ethyl 3-azido-2-hydroxypropanoate
CID 10888191
(2S)-4-azido-2-hydrazinylbutanoic acid
CID 89379573
azido(azidomethoxy)methane
CID 86050261

Frequently Asked Questions

What is the IUPAC name of 3-(azidomethoxy)-2-hydroxy-3-oxopropanoic acid?
The IUPAC name of 3-(azidomethoxy)-2-hydroxy-3-oxopropanoic acid (CID 126711877) is 3-(azidomethoxy)-2-hydroxy-3-oxopropanoic acid.
What is the SMILES notation for 3-(azidomethoxy)-2-hydroxy-3-oxopropanoic acid?
The canonical SMILES for 3-(azidomethoxy)-2-hydroxy-3-oxopropanoic acid is [N-]=[N+]=NCOC(=O)C(O)C(=O)O.
What is the InChIKey of 3-(azidomethoxy)-2-hydroxy-3-oxopropanoic acid?
The InChIKey is HQZXZNOQJWITRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O5/c5-7-6-1-12-4(11)2(8)3(9)10/h2,8H,1H2,(H,9,10).
What are the key properties of 3-(azidomethoxy)-2-hydroxy-3-oxopropanoic acid?
3-(azidomethoxy)-2-hydroxy-3-oxopropanoic acid has a molecular weight of 175.10 g/mol, XLogP of -0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azidomethoxy)-2-hydroxy-3-oxopropanoic acid is sourced from PubChem (CID 126711877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).