(2R)-2-(prop-2-enoylamino)-3-prop-2-enylselanylpropanamide

C9H14N2O2Se — CID 164666604

IUPAC(2R)-2-(prop-2-enoylamino)-3-prop-2-enylselanylpropanamide
SMILESC=CC[Se]C[C@H](NC(=O)C=C)C(N)=O
InChIInChI=1S/C9H14N2O2Se/c1-3-5-14-6-7(9(10)13)11-8(12)4-2/h3-4,7H,1-2,5-6H2,(H2,10,13)(H,11,12)/t7-/m0/s1
InChIKeyTXMBDJUJCNBFPP-ZETCQYMHSA-N
MW261.18 g/mol
LogP-0.13
Rot. Bonds7

About (2R)-2-(prop-2-enoylamino)-3-prop-2-enylselanylpropanamide

(2R)-2-(prop-2-enoylamino)-3-prop-2-enylselanylpropanamide (PubChem CID 164666604) has the molecular formula C9H14N2O2Se and a molecular weight of 261.18 g/mol. Its IUPAC name is (2R)-2-(prop-2-enoylamino)-3-prop-2-enylselanylpropanamide.

Molecular Properties

Compound Name(2R)-2-(prop-2-enoylamino)-3-prop-2-enylselanylpropanamide
PubChem CID164666604
Molecular FormulaC9H14N2O2Se
Molecular Weight261.18 g/mol
Exact Mass262.02
IUPAC Name(2R)-2-(prop-2-enoylamino)-3-prop-2-enylselanylpropanamide
SMILESC=CC[Se]C[C@H](NC(=O)C=C)C(N)=O
InChIInChI=1S/C9H14N2O2Se/c1-3-5-14-6-7(9(10)13)11-8(12)4-2/h3-4,7H,1-2,5-6H2,(H2,10,13)(H,11,12)/t7-/m0/s1
InChIKeyTXMBDJUJCNBFPP-ZETCQYMHSA-N
XLogP-0.13
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.18
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2R)-2-(prop-2-enoylamino)-3-prop-2-enylselanylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(prop-2-enoylamino)-3-prop-2-enylselanylpropanamide?
The IUPAC name of (2R)-2-(prop-2-enoylamino)-3-prop-2-enylselanylpropanamide (CID 164666604) is (2R)-2-(prop-2-enoylamino)-3-prop-2-enylselanylpropanamide.
What is the SMILES notation for (2R)-2-(prop-2-enoylamino)-3-prop-2-enylselanylpropanamide?
The canonical SMILES for (2R)-2-(prop-2-enoylamino)-3-prop-2-enylselanylpropanamide is C=CC[Se]C[C@H](NC(=O)C=C)C(N)=O.
What is the InChIKey of (2R)-2-(prop-2-enoylamino)-3-prop-2-enylselanylpropanamide?
The InChIKey is TXMBDJUJCNBFPP-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H14N2O2Se/c1-3-5-14-6-7(9(10)13)11-8(12)4-2/h3-4,7H,1-2,5-6H2,(H2,10,13)(H,11,12)/t7-/m0/s1.
What are the key properties of (2R)-2-(prop-2-enoylamino)-3-prop-2-enylselanylpropanamide?
(2R)-2-(prop-2-enoylamino)-3-prop-2-enylselanylpropanamide has a molecular weight of 261.18 g/mol, XLogP of -0.13, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(prop-2-enoylamino)-3-prop-2-enylselanylpropanamide is sourced from PubChem (CID 164666604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).