3-acetamidopropyl 2-methylprop-2-enoate

C9H15NO3 — CID 15055173

IUPAC3-acetamidopropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCNC(C)=O
InChIInChI=1S/C9H15NO3/c1-7(2)9(12)13-6-4-5-10-8(3)11/h1,4-6H2,2-3H3,(H,10,11)
InChIKeyVBFGSLUUXNMGAI-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.63
Rot. Bonds5

About 3-acetamidopropyl 2-methylprop-2-enoate

3-acetamidopropyl 2-methylprop-2-enoate (PubChem CID 15055173) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 3-acetamidopropyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-acetamidopropyl 2-methylprop-2-enoate
PubChem CID15055173
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name3-acetamidopropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCNC(C)=O
InChIInChI=1S/C9H15NO3/c1-7(2)9(12)13-6-4-5-10-8(3)11/h1,4-6H2,2-3H3,(H,10,11)
InChIKeyVBFGSLUUXNMGAI-UHFFFAOYSA-N
XLogP0.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

3-[4-acetamidobutyl(acetyl)amino]propyl 2-methylprop-2-enoate
CID 139977048
3-(3-methoxypropylcarbamoylamino)propyl 2-methylprop-2-enoate
CID 169159810
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
3-(5-aminopentanoylamino)propyl 2-methylprop-2-enoate
CID 118143712
10-[3-(2-methylprop-2-enoyloxy)propylamino]-10-oxodecanoic acid
CID 118143869
8-[3-(2-methylprop-2-enoyloxy)propylamino]-8-oxooctanoic acid
CID 118143504
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
4-[4-[4-(2-methylprop-2-enoyloxy)butoxy]butoxy]butyl 2-methylprop-2-enoate
CID 101360150
bis(ethane-1,2-diol);4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 88656789
4-acetyloxybutyl 2-methylprop-2-enoate
CID 21403527
CID 90103632
CID 90103632
3-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]propylcarbamic acid
CID 149304410

Frequently Asked Questions

What is the IUPAC name of 3-acetamidopropyl 2-methylprop-2-enoate?
The IUPAC name of 3-acetamidopropyl 2-methylprop-2-enoate (CID 15055173) is 3-acetamidopropyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-acetamidopropyl 2-methylprop-2-enoate?
The canonical SMILES for 3-acetamidopropyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCNC(C)=O.
What is the InChIKey of 3-acetamidopropyl 2-methylprop-2-enoate?
The InChIKey is VBFGSLUUXNMGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-7(2)9(12)13-6-4-5-10-8(3)11/h1,4-6H2,2-3H3,(H,10,11).
What are the key properties of 3-acetamidopropyl 2-methylprop-2-enoate?
3-acetamidopropyl 2-methylprop-2-enoate has a molecular weight of 185.22 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamidopropyl 2-methylprop-2-enoate is sourced from PubChem (CID 15055173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).