methyl 2-(3-azidopropylamino)-3-methylbut-3-enoate

C9H16N4O2 — CID 114784717

IUPACmethyl 2-(3-azidopropylamino)-3-methylbut-3-enoate
SMILESC=C(C)C(NCCCN=[N+]=[N-])C(=O)OC
InChIInChI=1S/C9H16N4O2/c1-7(2)8(9(14)15-3)11-5-4-6-12-13-10/h8,11H,1,4-6H2,2-3H3
InChIKeyGNFFBJYIOSHLDQ-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.39
Rot. Bonds7

About methyl 2-(3-azidopropylamino)-3-methylbut-3-enoate

methyl 2-(3-azidopropylamino)-3-methylbut-3-enoate (PubChem CID 114784717) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is methyl 2-(3-azidopropylamino)-3-methylbut-3-enoate.

Molecular Properties

Compound Namemethyl 2-(3-azidopropylamino)-3-methylbut-3-enoate
PubChem CID114784717
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Namemethyl 2-(3-azidopropylamino)-3-methylbut-3-enoate
SMILESC=C(C)C(NCCCN=[N+]=[N-])C(=O)OC
InChIInChI=1S/C9H16N4O2/c1-7(2)8(9(14)15-3)11-5-4-6-12-13-10/h8,11H,1,4-6H2,2-3H3
InChIKeyGNFFBJYIOSHLDQ-UHFFFAOYSA-N
XLogP1.39
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(3-azidopropylamino)-3-methylbut-3-enenitrile
CID 114784427
methyl 2-(3-azidopropylamino)-2-(4-fluorophenyl)acetate
CID 66190896
methyl 2-(3-azidopropylamino)-2-(4-methoxyphenyl)acetate
CID 66189115
methyl 2-(3-azidopropylamino)-2-(5-methyloxolan-2-yl)acetate
CID 82837840
dimethyl (2R,3S)-2,3-bis(2-azidoethyl)butanedioate
CID 59749614
methyl 2-(3-azidopropylamino)-2-(4-bromo-3-methylphenyl)acetate
CID 66478796
methyl 2-(3-azidopropylamino)-2-(4-fluoro-2-methylphenyl)acetate
CID 66189317
methyl 2-(3-azidopropylamino)-2-(oxan-3-yl)acetate
CID 66189126
[5-(3-azidopropylamino)-1-methoxy-1,5-dioxopentan-2-yl]azanium chloride
CID 90010411
methyl 2-(3-azidopropylamino)-2-(4-chloro-3-fluorophenyl)acetate
CID 66190499
N-(3-azidopropyl)-2-methylpropanamide
CID 61343977
5-azidopentyl acetate
CID 11159583

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-azidopropylamino)-3-methylbut-3-enoate?
The IUPAC name of methyl 2-(3-azidopropylamino)-3-methylbut-3-enoate (CID 114784717) is methyl 2-(3-azidopropylamino)-3-methylbut-3-enoate.
What is the SMILES notation for methyl 2-(3-azidopropylamino)-3-methylbut-3-enoate?
The canonical SMILES for methyl 2-(3-azidopropylamino)-3-methylbut-3-enoate is C=C(C)C(NCCCN=[N+]=[N-])C(=O)OC.
What is the InChIKey of methyl 2-(3-azidopropylamino)-3-methylbut-3-enoate?
The InChIKey is GNFFBJYIOSHLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-7(2)8(9(14)15-3)11-5-4-6-12-13-10/h8,11H,1,4-6H2,2-3H3.
What are the key properties of methyl 2-(3-azidopropylamino)-3-methylbut-3-enoate?
methyl 2-(3-azidopropylamino)-3-methylbut-3-enoate has a molecular weight of 212.25 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-azidopropylamino)-3-methylbut-3-enoate is sourced from PubChem (CID 114784717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).