ethyl (Z)-3-azido-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enoate

C11H18N4O4 — CID 135026048

IUPACethyl (Z)-3-azido-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enoate
SMILESCCOC(=O)/C(=C\N=[N+]=[N-])CNC(=O)OC(C)(C)C
InChIInChI=1S/C11H18N4O4/c1-5-18-9(16)8(7-14-15-12)6-13-10(17)19-11(2,3)4/h7H,5-6H2,1-4H3,(H,13,17)/b8-7-
InChIKeyJVQGXQGPKSBGHE-FPLPWBNLSA-N
MW270.29 g/mol
LogP2.27
Rot. Bonds5

About ethyl (Z)-3-azido-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enoate

ethyl (Z)-3-azido-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enoate (PubChem CID 135026048) has the molecular formula C11H18N4O4 and a molecular weight of 270.29 g/mol. Its IUPAC name is ethyl (Z)-3-azido-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-azido-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enoate
PubChem CID135026048
Molecular FormulaC11H18N4O4
Molecular Weight270.29 g/mol
Exact Mass270.13
IUPAC Nameethyl (Z)-3-azido-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enoate
SMILESCCOC(=O)/C(=C\N=[N+]=[N-])CNC(=O)OC(C)(C)C
InChIInChI=1S/C11H18N4O4/c1-5-18-9(16)8(7-14-15-12)6-13-10(17)19-11(2,3)4/h7H,5-6H2,1-4H3,(H,13,17)/b8-7-
InChIKeyJVQGXQGPKSBGHE-FPLPWBNLSA-N
XLogP2.27
TPSA113.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.27
H-Bond Donors ≤ 51
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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze ethyl (Z)-3-azido-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-azido-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enoate?
The IUPAC name of ethyl (Z)-3-azido-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enoate (CID 135026048) is ethyl (Z)-3-azido-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-azido-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enoate?
The canonical SMILES for ethyl (Z)-3-azido-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enoate is CCOC(=O)/C(=C\N=[N+]=[N-])CNC(=O)OC(C)(C)C.
What is the InChIKey of ethyl (Z)-3-azido-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enoate?
The InChIKey is JVQGXQGPKSBGHE-FPLPWBNLSA-N. The full InChI is InChI=1S/C11H18N4O4/c1-5-18-9(16)8(7-14-15-12)6-13-10(17)19-11(2,3)4/h7H,5-6H2,1-4H3,(H,13,17)/b8-7-.
What are the key properties of ethyl (Z)-3-azido-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enoate?
ethyl (Z)-3-azido-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enoate has a molecular weight of 270.29 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-azido-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enoate is sourced from PubChem (CID 135026048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).