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

C19H35N3O6 — CID 91718896

IUPACpropyl 2-[methyl-[2-[methyl-[2-[methyl(propoxycarbonyl)amino]propanoyl]amino]propanoyl]amino]propanoate
SMILESCCCOC(=O)C(C)N(C)C(=O)C(C)N(C)C(=O)C(C)N(C)C(=O)OCCC
InChIInChI=1S/C19H35N3O6/c1-9-11-27-18(25)15(5)21(7)16(23)13(3)20(6)17(24)14(4)22(8)19(26)28-12-10-2/h13-15H,9-12H2,1-8H3
InChIKeyZLAAUGOLWWGKAC-UHFFFAOYSA-N
MW401.50 g/mol
LogP1.50
Rot. Bonds10

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

propyl 2-[methyl-[2-[methyl-[2-[methyl(propoxycarbonyl)amino]propanoyl]amino]propanoyl]amino]propanoate (PubChem CID 91718896) has the molecular formula C19H35N3O6 and a molecular weight of 401.50 g/mol. Its IUPAC name is propyl 2-[methyl-[2-[methyl-[2-[methyl(propoxycarbonyl)amino]propanoyl]amino]propanoyl]amino]propanoate.

Molecular Properties

Compound Namepropyl 2-[methyl-[2-[methyl-[2-[methyl(propoxycarbonyl)amino]propanoyl]amino]propanoyl]amino]propanoate
PubChem CID91718896
Molecular FormulaC19H35N3O6
Molecular Weight401.50 g/mol
Exact Mass401.25
IUPAC Namepropyl 2-[methyl-[2-[methyl-[2-[methyl(propoxycarbonyl)amino]propanoyl]amino]propanoyl]amino]propanoate
SMILESCCCOC(=O)C(C)N(C)C(=O)C(C)N(C)C(=O)C(C)N(C)C(=O)OCCC
InChIInChI=1S/C19H35N3O6/c1-9-11-27-18(25)15(5)21(7)16(23)13(3)20(6)17(24)14(4)22(8)19(26)28-12-10-2/h13-15H,9-12H2,1-8H3
InChIKeyZLAAUGOLWWGKAC-UHFFFAOYSA-N
XLogP1.50
TPSA96.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.50
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

ethyl 2-[methyl-[2-[methyl-[2-[methyl(propoxycarbonyl)amino]propanoyl]amino]propanoyl]amino]propanoate
CID 91718895
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
octyl 2-[hexoxycarbonyl(methyl)amino]propanoate
CID 91729777
undecyl 2-[decoxycarbonyl(methyl)amino]propanoate
CID 91737902
octadecyl 2-[hexoxycarbonyl(methyl)amino]propanoate
CID 91729786
tetradecyl 2-[hexoxycarbonyl(methyl)amino]propanoate
CID 91729783
butyl 2-[methyl-[2-[methyl-[2-[methyl(prop-2-ynoxycarbonyl)amino]propanoyl]amino]propanoyl]amino]propanoate
CID 91724919
decyl 2-[butoxycarbonyl(methyl)amino]propanoate
CID 91722884

Frequently Asked Questions

What is the IUPAC name of propyl 2-[methyl-[2-[methyl-[2-[methyl(propoxycarbonyl)amino]propanoyl]amino]propanoyl]amino]propanoate?
The IUPAC name of propyl 2-[methyl-[2-[methyl-[2-[methyl(propoxycarbonyl)amino]propanoyl]amino]propanoyl]amino]propanoate (CID 91718896) is propyl 2-[methyl-[2-[methyl-[2-[methyl(propoxycarbonyl)amino]propanoyl]amino]propanoyl]amino]propanoate.
What is the SMILES notation for propyl 2-[methyl-[2-[methyl-[2-[methyl(propoxycarbonyl)amino]propanoyl]amino]propanoyl]amino]propanoate?
The canonical SMILES for propyl 2-[methyl-[2-[methyl-[2-[methyl(propoxycarbonyl)amino]propanoyl]amino]propanoyl]amino]propanoate is CCCOC(=O)C(C)N(C)C(=O)C(C)N(C)C(=O)C(C)N(C)C(=O)OCCC.
What is the InChIKey of propyl 2-[methyl-[2-[methyl-[2-[methyl(propoxycarbonyl)amino]propanoyl]amino]propanoyl]amino]propanoate?
The InChIKey is ZLAAUGOLWWGKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O6/c1-9-11-27-18(25)15(5)21(7)16(23)13(3)20(6)17(24)14(4)22(8)19(26)28-12-10-2/h13-15H,9-12H2,1-8H3.
What are the key properties of propyl 2-[methyl-[2-[methyl-[2-[methyl(propoxycarbonyl)amino]propanoyl]amino]propanoyl]amino]propanoate?
propyl 2-[methyl-[2-[methyl-[2-[methyl(propoxycarbonyl)amino]propanoyl]amino]propanoyl]amino]propanoate has a molecular weight of 401.50 g/mol, XLogP of 1.50, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[methyl-[2-[methyl-[2-[methyl(propoxycarbonyl)amino]propanoyl]amino]propanoyl]amino]propanoate is sourced from PubChem (CID 91718896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).