2-(2-acetamido-2-aminoacetyl)oxyethyl 2-methylprop-2-enoate

C10H16N2O5 — CID 22558291

IUPAC2-(2-acetamido-2-aminoacetyl)oxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC(=O)C(N)NC(C)=O
InChIInChI=1S/C10H16N2O5/c1-6(2)9(14)16-4-5-17-10(15)8(11)12-7(3)13/h8H,1,4-5,11H2,2-3H3,(H,12,13)
InChIKeyMZSNJTZQXIEPQM-UHFFFAOYSA-N
MW244.25 g/mol
LogP-0.93
Rot. Bonds6

About 2-(2-acetamido-2-aminoacetyl)oxyethyl 2-methylprop-2-enoate

2-(2-acetamido-2-aminoacetyl)oxyethyl 2-methylprop-2-enoate (PubChem CID 22558291) has the molecular formula C10H16N2O5 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-(2-acetamido-2-aminoacetyl)oxyethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(2-acetamido-2-aminoacetyl)oxyethyl 2-methylprop-2-enoate
PubChem CID22558291
Molecular FormulaC10H16N2O5
Molecular Weight244.25 g/mol
Exact Mass244.11
IUPAC Name2-(2-acetamido-2-aminoacetyl)oxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC(=O)C(N)NC(C)=O
InChIInChI=1S/C10H16N2O5/c1-6(2)9(14)16-4-5-17-10(15)8(11)12-7(3)13/h8H,1,4-5,11H2,2-3H3,(H,12,13)
InChIKeyMZSNJTZQXIEPQM-UHFFFAOYSA-N
XLogP-0.93
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamido-2-aminoacetyl)oxyethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(2-acetamido-2-aminoacetyl)oxyethyl 2-methylprop-2-enoate (CID 22558291) is 2-(2-acetamido-2-aminoacetyl)oxyethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(2-acetamido-2-aminoacetyl)oxyethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(2-acetamido-2-aminoacetyl)oxyethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOC(=O)C(N)NC(C)=O.
What is the InChIKey of 2-(2-acetamido-2-aminoacetyl)oxyethyl 2-methylprop-2-enoate?
The InChIKey is MZSNJTZQXIEPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5/c1-6(2)9(14)16-4-5-17-10(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-acetamido-2-aminoacetyl)oxyethyl 2-methylprop-2-enoate?
2-(2-acetamido-2-aminoacetyl)oxyethyl 2-methylprop-2-enoate has a molecular weight of 244.25 g/mol, XLogP of -0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamido-2-aminoacetyl)oxyethyl 2-methylprop-2-enoate is sourced from PubChem (CID 22558291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).