2-[2-[acetamido-(2-aminoacetyl)amino]acetyl]oxyethyl 2-methylprop-2-enoate

C12H19N3O6 — CID 87605318

IUPAC2-[2-[acetamido-(2-aminoacetyl)amino]acetyl]oxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC(=O)CN(NC(C)=O)C(=O)CN
InChIInChI=1S/C12H19N3O6/c1-8(2)12(19)21-5-4-20-11(18)7-15(10(17)6-13)14-9(3)16/h1,4-7,13H2,2-3H3,(H,14,16)
InChIKeyZNMJACCULDGKCS-UHFFFAOYSA-N
MW301.30 g/mol
LogP-1.51
Rot. Bonds7

About 2-[2-[acetamido-(2-aminoacetyl)amino]acetyl]oxyethyl 2-methylprop-2-enoate

2-[2-[acetamido-(2-aminoacetyl)amino]acetyl]oxyethyl 2-methylprop-2-enoate (PubChem CID 87605318) has the molecular formula C12H19N3O6 and a molecular weight of 301.30 g/mol. Its IUPAC name is 2-[2-[acetamido-(2-aminoacetyl)amino]acetyl]oxyethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[2-[acetamido-(2-aminoacetyl)amino]acetyl]oxyethyl 2-methylprop-2-enoate
PubChem CID87605318
Molecular FormulaC12H19N3O6
Molecular Weight301.30 g/mol
Exact Mass301.13
IUPAC Name2-[2-[acetamido-(2-aminoacetyl)amino]acetyl]oxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC(=O)CN(NC(C)=O)C(=O)CN
InChIInChI=1S/C12H19N3O6/c1-8(2)12(19)21-5-4-20-11(18)7-15(10(17)6-13)14-9(3)16/h1,4-7,13H2,2-3H3,(H,14,16)
InChIKeyZNMJACCULDGKCS-UHFFFAOYSA-N
XLogP-1.51
TPSA128.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 5-1.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[acetamido-(2-aminoacetyl)amino]acetyl]oxyethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[2-[acetamido-(2-aminoacetyl)amino]acetyl]oxyethyl 2-methylprop-2-enoate (CID 87605318) is 2-[2-[acetamido-(2-aminoacetyl)amino]acetyl]oxyethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[2-[acetamido-(2-aminoacetyl)amino]acetyl]oxyethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[2-[acetamido-(2-aminoacetyl)amino]acetyl]oxyethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOC(=O)CN(NC(C)=O)C(=O)CN.
What is the InChIKey of 2-[2-[acetamido-(2-aminoacetyl)amino]acetyl]oxyethyl 2-methylprop-2-enoate?
The InChIKey is ZNMJACCULDGKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O6/c1-8(2)12(19)21-5-4-20-11(18)7-15(10(17)6-13)14-9(3)16/h1,4-7,13H2,2-3H3,(H,14,16).
What are the key properties of 2-[2-[acetamido-(2-aminoacetyl)amino]acetyl]oxyethyl 2-methylprop-2-enoate?
2-[2-[acetamido-(2-aminoacetyl)amino]acetyl]oxyethyl 2-methylprop-2-enoate has a molecular weight of 301.30 g/mol, XLogP of -1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[acetamido-(2-aminoacetyl)amino]acetyl]oxyethyl 2-methylprop-2-enoate is sourced from PubChem (CID 87605318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).