[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]selanylmethyl butanoate

C15H20N2O4Se — CID 155526087

IUPAC[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]selanylmethyl butanoate
SMILESCCCC(=O)OC[Se]c1ccccc1C(=O)NCCC(N)=O
InChIInChI=1S/C15H20N2O4Se/c1-2-5-14(19)21-10-22-12-7-4-3-6-11(12)15(20)17-9-8-13(16)18/h3-4,6-7H,2,5,8-10H2,1H3,(H2,16,18)(H,17,20)
InChIKeyWCVDGMKDCFZJBL-UHFFFAOYSA-N
MW371.30 g/mol
LogP-0.08
Rot. Bonds9

About [2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]selanylmethyl butanoate

[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]selanylmethyl butanoate (PubChem CID 155526087) has the molecular formula C15H20N2O4Se and a molecular weight of 371.30 g/mol. Its IUPAC name is [2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]selanylmethyl butanoate.

Molecular Properties

Compound Name[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]selanylmethyl butanoate
PubChem CID155526087
Molecular FormulaC15H20N2O4Se
Molecular Weight371.30 g/mol
Exact Mass372.06
IUPAC Name[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]selanylmethyl butanoate
SMILESCCCC(=O)OC[Se]c1ccccc1C(=O)NCCC(N)=O
InChIInChI=1S/C15H20N2O4Se/c1-2-5-14(19)21-10-22-12-7-4-3-6-11(12)15(20)17-9-8-13(16)18/h3-4,6-7H,2,5,8-10H2,1H3,(H2,16,18)(H,17,20)
InChIKeyWCVDGMKDCFZJBL-UHFFFAOYSA-N
XLogP-0.08
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.30
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]selanylmethyl butanoate?
The IUPAC name of [2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]selanylmethyl butanoate (CID 155526087) is [2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]selanylmethyl butanoate.
What is the SMILES notation for [2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]selanylmethyl butanoate?
The canonical SMILES for [2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]selanylmethyl butanoate is CCCC(=O)OC[Se]c1ccccc1C(=O)NCCC(N)=O.
What is the InChIKey of [2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]selanylmethyl butanoate?
The InChIKey is WCVDGMKDCFZJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4Se/c1-2-5-14(19)21-10-22-12-7-4-3-6-11(12)15(20)17-9-8-13(16)18/h3-4,6-7H,2,5,8-10H2,1H3,(H2,16,18)(H,17,20).
What are the key properties of [2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]selanylmethyl butanoate?
[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]selanylmethyl butanoate has a molecular weight of 371.30 g/mol, XLogP of -0.08, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]selanylmethyl butanoate is sourced from PubChem (CID 155526087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).