ethyl 2-[methyl-[2-[methyl-[2-[methyl(propoxycarbonyl)amino]propanoyl]amino]propanoyl]amino]propanoate

C18H33N3O6 — CID 91718895

IUPACethyl 2-[methyl-[2-[methyl-[2-[methyl(propoxycarbonyl)amino]propanoyl]amino]propanoyl]amino]propanoate
SMILESCCCOC(=O)N(C)C(C)C(=O)N(C)C(C)C(=O)N(C)C(C)C(=O)OCC
InChIInChI=1S/C18H33N3O6/c1-9-11-27-18(25)21(8)13(4)16(23)19(6)12(3)15(22)20(7)14(5)17(24)26-10-2/h12-14H,9-11H2,1-8H3
InChIKeyLRVKBNBHXBTHOH-UHFFFAOYSA-N
MW387.48 g/mol
LogP1.11
Rot. Bonds9

About ethyl 2-[methyl-[2-[methyl-[2-[methyl(propoxycarbonyl)amino]propanoyl]amino]propanoyl]amino]propanoate

ethyl 2-[methyl-[2-[methyl-[2-[methyl(propoxycarbonyl)amino]propanoyl]amino]propanoyl]amino]propanoate (PubChem CID 91718895) has the molecular formula C18H33N3O6 and a molecular weight of 387.48 g/mol. Its IUPAC name is ethyl 2-[methyl-[2-[methyl-[2-[methyl(propoxycarbonyl)amino]propanoyl]amino]propanoyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[methyl-[2-[methyl-[2-[methyl(propoxycarbonyl)amino]propanoyl]amino]propanoyl]amino]propanoate
PubChem CID91718895
Molecular FormulaC18H33N3O6
Molecular Weight387.48 g/mol
Exact Mass387.24
IUPAC Nameethyl 2-[methyl-[2-[methyl-[2-[methyl(propoxycarbonyl)amino]propanoyl]amino]propanoyl]amino]propanoate
SMILESCCCOC(=O)N(C)C(C)C(=O)N(C)C(C)C(=O)N(C)C(C)C(=O)OCC
InChIInChI=1S/C18H33N3O6/c1-9-11-27-18(25)21(8)13(4)16(23)19(6)12(3)15(22)20(7)14(5)17(24)26-10-2/h12-14H,9-11H2,1-8H3
InChIKeyLRVKBNBHXBTHOH-UHFFFAOYSA-N
XLogP1.11
TPSA96.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[methyl-[2-[methyl-[2-[methyl(propoxycarbonyl)amino]propanoyl]amino]propanoyl]amino]propanoate with MolForge

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Related Compounds

propyl 2-[methyl-[2-[methyl-[2-[methyl(propoxycarbonyl)amino]propanoyl]amino]propanoyl]amino]propanoate
CID 91718896
pentyl 2-[methyl-[2-[methyl(propoxycarbonyl)amino]propanoyl]amino]propanoate
CID 91718545
butyl 2-[2-[2-chloroethoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate
CID 91724108
decyl 2-[methyl(propoxycarbonyl)amino]propanoate
CID 91718697
pentyl 2-[2-[2-chloroethoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate
CID 91724112
propyl 2-[methyl(4-methylpentoxycarbonyl)amino]propanoate
CID 91718694
2-methylpropyl 2-[2-[2-methoxyethoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate
CID 91723528
octyl 2-[hexoxycarbonyl(methyl)amino]propanoate
CID 91729777
octadecyl 2-[hexoxycarbonyl(methyl)amino]propanoate
CID 91729786
tetradecyl 2-[hexoxycarbonyl(methyl)amino]propanoate
CID 91729783
undecyl 2-[decoxycarbonyl(methyl)amino]propanoate
CID 91737902
butyl 2-[methyl-[2-[methyl-[2-[methyl(prop-2-ynoxycarbonyl)amino]propanoyl]amino]propanoyl]amino]propanoate
CID 91724919

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-[2-[methyl-[2-[methyl(propoxycarbonyl)amino]propanoyl]amino]propanoyl]amino]propanoate?
The IUPAC name of ethyl 2-[methyl-[2-[methyl-[2-[methyl(propoxycarbonyl)amino]propanoyl]amino]propanoyl]amino]propanoate (CID 91718895) is ethyl 2-[methyl-[2-[methyl-[2-[methyl(propoxycarbonyl)amino]propanoyl]amino]propanoyl]amino]propanoate.
What is the SMILES notation for ethyl 2-[methyl-[2-[methyl-[2-[methyl(propoxycarbonyl)amino]propanoyl]amino]propanoyl]amino]propanoate?
The canonical SMILES for ethyl 2-[methyl-[2-[methyl-[2-[methyl(propoxycarbonyl)amino]propanoyl]amino]propanoyl]amino]propanoate is CCCOC(=O)N(C)C(C)C(=O)N(C)C(C)C(=O)N(C)C(C)C(=O)OCC.
What is the InChIKey of ethyl 2-[methyl-[2-[methyl-[2-[methyl(propoxycarbonyl)amino]propanoyl]amino]propanoyl]amino]propanoate?
The InChIKey is LRVKBNBHXBTHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O6/c1-9-11-27-18(25)21(8)13(4)16(23)19(6)12(3)15(22)20(7)14(5)17(24)26-10-2/h12-14H,9-11H2,1-8H3.
What are the key properties of ethyl 2-[methyl-[2-[methyl-[2-[methyl(propoxycarbonyl)amino]propanoyl]amino]propanoyl]amino]propanoate?
ethyl 2-[methyl-[2-[methyl-[2-[methyl(propoxycarbonyl)amino]propanoyl]amino]propanoyl]amino]propanoate has a molecular weight of 387.48 g/mol, XLogP of 1.11, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl-[2-[methyl-[2-[methyl(propoxycarbonyl)amino]propanoyl]amino]propanoyl]amino]propanoate is sourced from PubChem (CID 91718895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).