methyl (2R)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-butylselanylpropanoate

C18H33NO6Se — CID 146165396

IUPACmethyl (2R)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-butylselanylpropanoate
SMILESCCCC[Se]C[C@@H](C(=O)OC)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C18H33NO6Se/c1-9-10-11-26-12-13(14(20)23-8)19(15(21)24-17(2,3)4)16(22)25-18(5,6)7/h13H,9-12H2,1-8H3/t13-/m0/s1
InChIKeySTKQTIMEYLFBAB-ZDUSSCGKSA-N
MW438.42 g/mol
LogP4.04
Rot. Bonds7

About methyl (2R)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-butylselanylpropanoate

methyl (2R)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-butylselanylpropanoate (PubChem CID 146165396) has the molecular formula C18H33NO6Se and a molecular weight of 438.42 g/mol. Its IUPAC name is methyl (2R)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-butylselanylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-butylselanylpropanoate
PubChem CID146165396
Molecular FormulaC18H33NO6Se
Molecular Weight438.42 g/mol
Exact Mass439.15
IUPAC Namemethyl (2R)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-butylselanylpropanoate
SMILESCCCC[Se]C[C@@H](C(=O)OC)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C18H33NO6Se/c1-9-10-11-26-12-13(14(20)23-8)19(15(21)24-17(2,3)4)16(22)25-18(5,6)7/h13H,9-12H2,1-8H3/t13-/m0/s1
InChIKeySTKQTIMEYLFBAB-ZDUSSCGKSA-N
XLogP4.04
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.42
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze methyl (2R)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-butylselanylpropanoate with MolForge

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

Launch Full Analysis

Related Compounds

Methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-triethylsilylpropanoate
CID 162417421
Methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-tributylsilylpropanoate
CID 162417422
Methyl 3-fluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 84727078
Methyl 2-{[(tert-butoxy)carbonyl](2-fluoroethyl)amino}propanoate
CID 165910353
Methyl 2-(bis(tert-butoxycarbonyl)amino)acetate
CID 11044445
Ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 85120609
methyl (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 15228381
Methyl 2-[iodo-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 18520232
methyl (2R)-2-{[(tert-butoxy)carbonyl](methyl)amino}propanoate
CID 18652571
Methyl 2-(tert-butoxycarbonyl(methyl)amino)propanoate
CID 19608616
methyl (2S)-2-[iodo-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 22898908
(S)-methyl 2-(tert-butoxycarbonyl(ethyl)amino)propanoate
CID 58324365

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-butylselanylpropanoate?
The IUPAC name of methyl (2R)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-butylselanylpropanoate (CID 146165396) is methyl (2R)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-butylselanylpropanoate.
What is the SMILES notation for methyl (2R)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-butylselanylpropanoate?
The canonical SMILES for methyl (2R)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-butylselanylpropanoate is CCCC[Se]C[C@@H](C(=O)OC)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of methyl (2R)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-butylselanylpropanoate?
The InChIKey is STKQTIMEYLFBAB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H33NO6Se/c1-9-10-11-26-12-13(14(20)23-8)19(15(21)24-17(2,3)4)16(22)25-18(5,6)7/h13H,9-12H2,1-8H3/t13-/m0/s1.
What are the key properties of methyl (2R)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-butylselanylpropanoate?
methyl (2R)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-butylselanylpropanoate has a molecular weight of 438.42 g/mol, XLogP of 4.04, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-butylselanylpropanoate is sourced from PubChem (CID 146165396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).