2-(2-acetamido-3-aminopropanoyl)oxyethyl 2-methylprop-2-enoate

C11H18N2O5 — CID 22558281

IUPAC2-(2-acetamido-3-aminopropanoyl)oxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC(=O)C(CN)NC(C)=O
InChIInChI=1S/C11H18N2O5/c1-7(2)10(15)17-4-5-18-11(16)9(6-12)13-8(3)14/h9H,1,4-6,12H2,2-3H3,(H,13,14)
InChIKeyKTDKXVWVCWFFFZ-UHFFFAOYSA-N
MW258.27 g/mol
LogP-0.89
Rot. Bonds7

About 2-(2-acetamido-3-aminopropanoyl)oxyethyl 2-methylprop-2-enoate

2-(2-acetamido-3-aminopropanoyl)oxyethyl 2-methylprop-2-enoate (PubChem CID 22558281) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-(2-acetamido-3-aminopropanoyl)oxyethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(2-acetamido-3-aminopropanoyl)oxyethyl 2-methylprop-2-enoate
PubChem CID22558281
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name2-(2-acetamido-3-aminopropanoyl)oxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC(=O)C(CN)NC(C)=O
InChIInChI=1S/C11H18N2O5/c1-7(2)10(15)17-4-5-18-11(16)9(6-12)13-8(3)14/h9H,1,4-6,12H2,2-3H3,(H,13,14)
InChIKeyKTDKXVWVCWFFFZ-UHFFFAOYSA-N
XLogP-0.89
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-3-aminopropanoyl)oxyethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(2-acetamido-3-aminopropanoyl)oxyethyl 2-methylprop-2-enoate (CID 22558281) is 2-(2-acetamido-3-aminopropanoyl)oxyethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(2-acetamido-3-aminopropanoyl)oxyethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(2-acetamido-3-aminopropanoyl)oxyethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOC(=O)C(CN)NC(C)=O.
What is the InChIKey of 2-(2-acetamido-3-aminopropanoyl)oxyethyl 2-methylprop-2-enoate?
The InChIKey is KTDKXVWVCWFFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-7(2)10(15)17-4-5-18-11(16)9(6-12)13-8(3)14/h9H,1,4-6,12H2,2-3H3,(H,13,14).
What are the key properties of 2-(2-acetamido-3-aminopropanoyl)oxyethyl 2-methylprop-2-enoate?
2-(2-acetamido-3-aminopropanoyl)oxyethyl 2-methylprop-2-enoate has a molecular weight of 258.27 g/mol, XLogP of -0.89, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamido-3-aminopropanoyl)oxyethyl 2-methylprop-2-enoate is sourced from PubChem (CID 22558281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).