2-(2-methylprop-2-enoylperoxy)ethyl 2-acetamido-2-aminoacetate

C10H16N2O6 — CID 18175371

IUPAC2-(2-methylprop-2-enoylperoxy)ethyl 2-acetamido-2-aminoacetate
SMILESC=C(C)C(=O)OOCCOC(=O)C(N)NC(C)=O
InChIInChI=1S/C10H16N2O6/c1-6(2)9(14)18-17-5-4-16-10(15)8(11)12-7(3)13/h8H,1,4-5,11H2,2-3H3,(H,12,13)
InChIKeyDWFRHPOYPSZARZ-UHFFFAOYSA-N
MW260.25 g/mol
LogP-1.00
Rot. Bonds7

About 2-(2-methylprop-2-enoylperoxy)ethyl 2-acetamido-2-aminoacetate

2-(2-methylprop-2-enoylperoxy)ethyl 2-acetamido-2-aminoacetate (PubChem CID 18175371) has the molecular formula C10H16N2O6 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoylperoxy)ethyl 2-acetamido-2-aminoacetate.

Molecular Properties

Compound Name2-(2-methylprop-2-enoylperoxy)ethyl 2-acetamido-2-aminoacetate
PubChem CID18175371
Molecular FormulaC10H16N2O6
Molecular Weight260.25 g/mol
Exact Mass260.10
IUPAC Name2-(2-methylprop-2-enoylperoxy)ethyl 2-acetamido-2-aminoacetate
SMILESC=C(C)C(=O)OOCCOC(=O)C(N)NC(C)=O
InChIInChI=1S/C10H16N2O6/c1-6(2)9(14)18-17-5-4-16-10(15)8(11)12-7(3)13/h8H,1,4-5,11H2,2-3H3,(H,12,13)
InChIKeyDWFRHPOYPSZARZ-UHFFFAOYSA-N
XLogP-1.00
TPSA116.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 2-(2-methylprop-2-enoylperoxy)ethyl 2-acetamido-2-aminoacetate with MolForge

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

Launch Full Analysis

Related Compounds

4-[2-(2-methylprop-2-enoylperoxy)ethoxy]-4-oxobutanoic acid
CID 87506668
bis[2-(2-methylprop-2-enoylperoxy)ethyl] cyclohexane-1,2-dicarboxylate
CID 118237282
2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 18762112
2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 7979
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 139628547
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
methyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 3080735
2-ethylperoxyethyl 2-methylprop-2-enoate
CID 174827257
2-(2-methylprop-2-enoyloxy)ethyl 3-chloro-2-methylpropanoate
CID 169323749
2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 118552732
2-[2-(2-hydroxypropanoyloxy)propanoyloxy]ethyl 2-methylprop-2-enoate
CID 59305982
bis(2-methylprop-2-enoic acid);2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate
CID 158009828

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enoylperoxy)ethyl 2-acetamido-2-aminoacetate?
The IUPAC name of 2-(2-methylprop-2-enoylperoxy)ethyl 2-acetamido-2-aminoacetate (CID 18175371) is 2-(2-methylprop-2-enoylperoxy)ethyl 2-acetamido-2-aminoacetate.
What is the SMILES notation for 2-(2-methylprop-2-enoylperoxy)ethyl 2-acetamido-2-aminoacetate?
The canonical SMILES for 2-(2-methylprop-2-enoylperoxy)ethyl 2-acetamido-2-aminoacetate is C=C(C)C(=O)OOCCOC(=O)C(N)NC(C)=O.
What is the InChIKey of 2-(2-methylprop-2-enoylperoxy)ethyl 2-acetamido-2-aminoacetate?
The InChIKey is DWFRHPOYPSZARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O6/c1-6(2)9(14)18-17-5-4-16-10(15)8(11)12-7(3)13/h8H,1,4-5,11H2,2-3H3,(H,12,13).
What are the key properties of 2-(2-methylprop-2-enoylperoxy)ethyl 2-acetamido-2-aminoacetate?
2-(2-methylprop-2-enoylperoxy)ethyl 2-acetamido-2-aminoacetate has a molecular weight of 260.25 g/mol, XLogP of -1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoylperoxy)ethyl 2-acetamido-2-aminoacetate is sourced from PubChem (CID 18175371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).