methyl 3-methyl-2-(3-phenyltellanylpropanoylamino)butanoate

C15H21NO3Te — CID 74407382

IUPACmethyl 3-methyl-2-(3-phenyltellanylpropanoylamino)butanoate
SMILESCOC(=O)C(NC(=O)CC[Te]c1ccccc1)C(C)C
InChIInChI=1S/C15H21NO3Te/c1-11(2)14(15(18)19-3)16-13(17)9-10-20-12-7-5-4-6-8-12/h4-8,11,14H,9-10H2,1-3H3,(H,16,17)
InChIKeyRYZJAALKCCSUFU-UHFFFAOYSA-N
MW390.94 g/mol
LogP1.14
Rot. Bonds7

About methyl 3-methyl-2-(3-phenyltellanylpropanoylamino)butanoate

methyl 3-methyl-2-(3-phenyltellanylpropanoylamino)butanoate (PubChem CID 74407382) has the molecular formula C15H21NO3Te and a molecular weight of 390.94 g/mol. Its IUPAC name is methyl 3-methyl-2-(3-phenyltellanylpropanoylamino)butanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-(3-phenyltellanylpropanoylamino)butanoate
PubChem CID74407382
Molecular FormulaC15H21NO3Te
Molecular Weight390.94 g/mol
Exact Mass393.06
IUPAC Namemethyl 3-methyl-2-(3-phenyltellanylpropanoylamino)butanoate
SMILESCOC(=O)C(NC(=O)CC[Te]c1ccccc1)C(C)C
InChIInChI=1S/C15H21NO3Te/c1-11(2)14(15(18)19-3)16-13(17)9-10-20-12-7-5-4-6-8-12/h4-8,11,14H,9-10H2,1-3H3,(H,16,17)
InChIKeyRYZJAALKCCSUFU-UHFFFAOYSA-N
XLogP1.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.94
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

D-Leucine, N-(1-oxo-3-phenyl-2-propenyl)-, methyl ester, (E)-
CID 6449732
DL-Valine, N-(1-oxo-3-phenyl-2-propenyl)-, methyl ester, (E)-
CID 6449722
DL-Leucine, N-(1-oxo-3-phenyl-2-propenyl)-, methyl ester, (E)-
CID 6449731
methyl N-cinnamoylvalinate
CID 5720862
methyl (e)-2-(N-pivaloylamino)-4-phenyl-3-butenoate
CID 12124507
N-cinnamoyl-d-leucine methyl ester
CID 3080256
methyl (E,2R)-2-acetamido-5-phenylpent-4-enoate
CID 57683470
methyl (E,2S)-2-acetamido-5-phenylpent-4-enoate
CID 57683479
N-cinnamoyl-d,l-leucine methyl ester
CID 68158288
methyl (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 73935556
ethyl (2S)-3-methyl-2-[[(E)-3-phenylprop-2-enoyl]amino]butanoate
CID 76309380
methyl (2S,3S)-3-methyl-2-[[(E)-3-phenylprop-2-enoyl]amino]pentanoate
CID 76312830

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-(3-phenyltellanylpropanoylamino)butanoate?
The IUPAC name of methyl 3-methyl-2-(3-phenyltellanylpropanoylamino)butanoate (CID 74407382) is methyl 3-methyl-2-(3-phenyltellanylpropanoylamino)butanoate.
What is the SMILES notation for methyl 3-methyl-2-(3-phenyltellanylpropanoylamino)butanoate?
The canonical SMILES for methyl 3-methyl-2-(3-phenyltellanylpropanoylamino)butanoate is COC(=O)C(NC(=O)CC[Te]c1ccccc1)C(C)C.
What is the InChIKey of methyl 3-methyl-2-(3-phenyltellanylpropanoylamino)butanoate?
The InChIKey is RYZJAALKCCSUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3Te/c1-11(2)14(15(18)19-3)16-13(17)9-10-20-12-7-5-4-6-8-12/h4-8,11,14H,9-10H2,1-3H3,(H,16,17).
What are the key properties of methyl 3-methyl-2-(3-phenyltellanylpropanoylamino)butanoate?
methyl 3-methyl-2-(3-phenyltellanylpropanoylamino)butanoate has a molecular weight of 390.94 g/mol, XLogP of 1.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-(3-phenyltellanylpropanoylamino)butanoate is sourced from PubChem (CID 74407382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).