(3-hydroxy-1-methoxy-1-oxopropan-2-yl)azanium azide

C4H10N4O3 — CID 119095866

IUPAC(3-hydroxy-1-methoxy-1-oxopropan-2-yl)azanium azide
SMILESCOC(=O)C([NH3+])CO.[N-]=[N+]=[N-]
InChIInChI=1S/C4H9NO3.N3/c1-8-4(7)3(5)2-6;1-3-2/h3,6H,2,5H2,1H3;/q;-1/p+1
InChIKeyTXPPPXZOQUXOFW-UHFFFAOYSA-O
MW162.15 g/mol
LogP-1.37
Rot. Bonds2

About (3-hydroxy-1-methoxy-1-oxopropan-2-yl)azanium azide

(3-hydroxy-1-methoxy-1-oxopropan-2-yl)azanium azide (PubChem CID 119095866) has the molecular formula C4H10N4O3 and a molecular weight of 162.15 g/mol. Its IUPAC name is (3-hydroxy-1-methoxy-1-oxopropan-2-yl)azanium azide.

Molecular Properties

Compound Name(3-hydroxy-1-methoxy-1-oxopropan-2-yl)azanium azide
PubChem CID119095866
Molecular FormulaC4H10N4O3
Molecular Weight162.15 g/mol
Exact Mass162.08
IUPAC Name(3-hydroxy-1-methoxy-1-oxopropan-2-yl)azanium azide
SMILESCOC(=O)C([NH3+])CO.[N-]=[N+]=[N-]
InChIInChI=1S/C4H9NO3.N3/c1-8-4(7)3(5)2-6;1-3-2/h3,6H,2,5H2,1H3;/q;-1/p+1
InChIKeyTXPPPXZOQUXOFW-UHFFFAOYSA-O
XLogP-1.37
TPSA132.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

(6-azaniumyl-1,7-dimethoxy-1,7-dioxoheptan-2-yl)azanium
CID 59280329
[(2R)-3-[[(2R)-2-azaniumyl-3-methoxy-3-oxopropyl]disulfanyl]-1-methoxy-1-oxopropan-2-yl]azanium dichloride
CID 11089122
[(2S)-1,5-dimethoxy-1,5-dioxopentan-2-yl]azanium
CID 6994978
methyl (2S)-2-amino-3-hydroxypropanoate
CID 2723731
(1-amino-3-hydroxy-1-oxopropan-2-yl)azanium
CID 25201551
methanol;methyl 2,3-dihydroxypropanoate
CID 174804143
methyl 2-amino-3-hydroxypropanoate;hydrochloride
CID 517373
[5-(3-azidopropylamino)-1-methoxy-1,5-dioxopentan-2-yl]azanium chloride
CID 90010411
(1-methoxy-1-oxopropan-2-yl)azanium chloride
CID 10931506
methyl 2-(hydroxymethyl)-3-methylbutanoate
CID 11062523
methyl (2S)-3-hydroxy-2-(iodoamino)propanoate
CID 147455572
[(1S)-1-carboxy-2-hydroxyethyl]azanium
CID 5460790

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-1-methoxy-1-oxopropan-2-yl)azanium azide?
The IUPAC name of (3-hydroxy-1-methoxy-1-oxopropan-2-yl)azanium azide (CID 119095866) is (3-hydroxy-1-methoxy-1-oxopropan-2-yl)azanium azide.
What is the SMILES notation for (3-hydroxy-1-methoxy-1-oxopropan-2-yl)azanium azide?
The canonical SMILES for (3-hydroxy-1-methoxy-1-oxopropan-2-yl)azanium azide is COC(=O)C([NH3+])CO.[N-]=[N+]=[N-].
What is the InChIKey of (3-hydroxy-1-methoxy-1-oxopropan-2-yl)azanium azide?
The InChIKey is TXPPPXZOQUXOFW-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H9NO3.N3/c1-8-4(7)3(5)2-6;1-3-2/h3,6H,2,5H2,1H3;/q;-1/p+1.
What are the key properties of (3-hydroxy-1-methoxy-1-oxopropan-2-yl)azanium azide?
(3-hydroxy-1-methoxy-1-oxopropan-2-yl)azanium azide has a molecular weight of 162.15 g/mol, XLogP of -1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-1-methoxy-1-oxopropan-2-yl)azanium azide is sourced from PubChem (CID 119095866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).