azidomethyl 2,3-dihydroxypropanoate

C4H7N3O4 — CID 126711905

IUPACazidomethyl 2,3-dihydroxypropanoate
SMILES[N-]=[N+]=NCOC(=O)C(O)CO
InChIInChI=1S/C4H7N3O4/c5-7-6-2-11-4(10)3(9)1-8/h3,8-9H,1-2H2
InChIKeyCOHYBRFEZZBRGY-UHFFFAOYSA-N
MW161.12 g/mol
LogP-0.85
Rot. Bonds4

About azidomethyl 2,3-dihydroxypropanoate

azidomethyl 2,3-dihydroxypropanoate (PubChem CID 126711905) has the molecular formula C4H7N3O4 and a molecular weight of 161.12 g/mol. Its IUPAC name is azidomethyl 2,3-dihydroxypropanoate.

Molecular Properties

Compound Nameazidomethyl 2,3-dihydroxypropanoate
PubChem CID126711905
Molecular FormulaC4H7N3O4
Molecular Weight161.12 g/mol
Exact Mass161.04
IUPAC Nameazidomethyl 2,3-dihydroxypropanoate
SMILES[N-]=[N+]=NCOC(=O)C(O)CO
InChIInChI=1S/C4H7N3O4/c5-7-6-2-11-4(10)3(9)1-8/h3,8-9H,1-2H2
InChIKeyCOHYBRFEZZBRGY-UHFFFAOYSA-N
XLogP-0.85
TPSA115.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.12
LogP ≤ 5-0.85
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': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

3-(azidomethoxy)-2-hydroxy-3-oxopropanoic acid
CID 126711877
azidomethyl hydrogen carbonate
CID 150627591
azidomethyl 3-methylbutanoate
CID 152605157
bis(azidomethyl) pentanedioate
CID 118634110
azidomethyl N-aminocarbamate
CID 118181996
ethyl 3-azido-2-hydroxypropanoate
CID 10888191
2-methylpropyl 2,3-dihydroxypropanoate
CID 87068517
2-oxoethyl 2,3-dihydroxypropanoate
CID 20759177
methanol;methyl 2,3-dihydroxypropanoate
CID 174804143
bis(2,3-dihydroxypropanoyloxy)gallanyl 2,3-dihydroxypropanoate
CID 155673324
azido(azidomethoxy)methane
CID 86050261
3-methylbutyl 2,3-dihydroxypropanoate
CID 87068414

Frequently Asked Questions

What is the IUPAC name of azidomethyl 2,3-dihydroxypropanoate?
The IUPAC name of azidomethyl 2,3-dihydroxypropanoate (CID 126711905) is azidomethyl 2,3-dihydroxypropanoate.
What is the SMILES notation for azidomethyl 2,3-dihydroxypropanoate?
The canonical SMILES for azidomethyl 2,3-dihydroxypropanoate is [N-]=[N+]=NCOC(=O)C(O)CO.
What is the InChIKey of azidomethyl 2,3-dihydroxypropanoate?
The InChIKey is COHYBRFEZZBRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O4/c5-7-6-2-11-4(10)3(9)1-8/h3,8-9H,1-2H2.
What are the key properties of azidomethyl 2,3-dihydroxypropanoate?
azidomethyl 2,3-dihydroxypropanoate has a molecular weight of 161.12 g/mol, XLogP of -0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azidomethyl 2,3-dihydroxypropanoate is sourced from PubChem (CID 126711905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).