methyl 2-amino-2-azidoacetate

C3H6N4O2 — CID 150162747

IUPACmethyl 2-amino-2-azidoacetate
SMILESCOC(=O)C(N)N=[N+]=[N-]
InChIInChI=1S/C3H6N4O2/c1-9-3(8)2(4)6-7-5/h2H,4H2,1H3
InChIKeyFHTXKYXHSFQYHL-UHFFFAOYSA-N
MW130.11 g/mol
LogP-0.25
Rot. Bonds2

About methyl 2-amino-2-azidoacetate

methyl 2-amino-2-azidoacetate (PubChem CID 150162747) has the molecular formula C3H6N4O2 and a molecular weight of 130.11 g/mol. Its IUPAC name is methyl 2-amino-2-azidoacetate.

Molecular Properties

Compound Namemethyl 2-amino-2-azidoacetate
PubChem CID150162747
Molecular FormulaC3H6N4O2
Molecular Weight130.11 g/mol
Exact Mass130.05
IUPAC Namemethyl 2-amino-2-azidoacetate
SMILESCOC(=O)C(N)N=[N+]=[N-]
InChIInChI=1S/C3H6N4O2/c1-9-3(8)2(4)6-7-5/h2H,4H2,1H3
InChIKeyFHTXKYXHSFQYHL-UHFFFAOYSA-N
XLogP-0.25
TPSA101.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.11
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-azidoacetate?
The IUPAC name of methyl 2-amino-2-azidoacetate (CID 150162747) is methyl 2-amino-2-azidoacetate.
What is the SMILES notation for methyl 2-amino-2-azidoacetate?
The canonical SMILES for methyl 2-amino-2-azidoacetate is COC(=O)C(N)N=[N+]=[N-].
What is the InChIKey of methyl 2-amino-2-azidoacetate?
The InChIKey is FHTXKYXHSFQYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N4O2/c1-9-3(8)2(4)6-7-5/h2H,4H2,1H3.
What are the key properties of methyl 2-amino-2-azidoacetate?
methyl 2-amino-2-azidoacetate has a molecular weight of 130.11 g/mol, XLogP of -0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-azidoacetate is sourced from PubChem (CID 150162747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).