methyl 2-acetamido-3-prop-2-enylselanylpropanoate

C9H15NO3Se — CID 164667501

IUPACmethyl 2-acetamido-3-prop-2-enylselanylpropanoate
SMILESC=CC[Se]CC(NC(C)=O)C(=O)OC
InChIInChI=1S/C9H15NO3Se/c1-4-5-14-6-8(9(12)13-3)10-7(2)11/h4,8H,1,5-6H2,2-3H3,(H,10,11)
InChIKeyLPTLQDPKBQHCPL-UHFFFAOYSA-N
MW264.18 g/mol
LogP0.39
Rot. Bonds6

About methyl 2-acetamido-3-prop-2-enylselanylpropanoate

methyl 2-acetamido-3-prop-2-enylselanylpropanoate (PubChem CID 164667501) has the molecular formula C9H15NO3Se and a molecular weight of 264.18 g/mol. Its IUPAC name is methyl 2-acetamido-3-prop-2-enylselanylpropanoate.

Molecular Properties

Compound Namemethyl 2-acetamido-3-prop-2-enylselanylpropanoate
PubChem CID164667501
Molecular FormulaC9H15NO3Se
Molecular Weight264.18 g/mol
Exact Mass265.02
IUPAC Namemethyl 2-acetamido-3-prop-2-enylselanylpropanoate
SMILESC=CC[Se]CC(NC(C)=O)C(=O)OC
InChIInChI=1S/C9H15NO3Se/c1-4-5-14-6-8(9(12)13-3)10-7(2)11/h4,8H,1,5-6H2,2-3H3,(H,10,11)
InChIKeyLPTLQDPKBQHCPL-UHFFFAOYSA-N
XLogP0.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.18
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-acryloyl-l-alanine methyl ester
CID 11564512
Methyl 2-(prop-2-enoylamino)propanoate
CID 60780322
Methyl 2-acryloylaminobutanoate
CID 129752921
Vinylacetylglycine, methyl ester
CID 6429417
Methyl-2-acetylamino-4-pentenoate
CID 15289013
methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-prop-2-enylselanylpropanoate
CID 164666605
methyl (2S)-2-acetamidopent-4-enoate
CID 15289014
Ethyl 2-Acetamido-2-vinylacetate
CID 19029215
Methyl 2-allylaminopropionate
CID 19076105
Ethyl 2-(prop-2-enoylamino)propanoate
CID 20264008
Methyl (2S)-2-acetamidobut-3-enoate
CID 25169831
Prop-2-enyl 2-acetamidopropanoate
CID 54343702

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-3-prop-2-enylselanylpropanoate?
The IUPAC name of methyl 2-acetamido-3-prop-2-enylselanylpropanoate (CID 164667501) is methyl 2-acetamido-3-prop-2-enylselanylpropanoate.
What is the SMILES notation for methyl 2-acetamido-3-prop-2-enylselanylpropanoate?
The canonical SMILES for methyl 2-acetamido-3-prop-2-enylselanylpropanoate is C=CC[Se]CC(NC(C)=O)C(=O)OC.
What is the InChIKey of methyl 2-acetamido-3-prop-2-enylselanylpropanoate?
The InChIKey is LPTLQDPKBQHCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3Se/c1-4-5-14-6-8(9(12)13-3)10-7(2)11/h4,8H,1,5-6H2,2-3H3,(H,10,11).
What are the key properties of methyl 2-acetamido-3-prop-2-enylselanylpropanoate?
methyl 2-acetamido-3-prop-2-enylselanylpropanoate has a molecular weight of 264.18 g/mol, XLogP of 0.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-3-prop-2-enylselanylpropanoate is sourced from PubChem (CID 164667501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).