propyl 2-[methyl-[2-[methyl(2-methylpropoxycarbonyl)amino]acetyl]amino]acetate

C14H26N2O5 — CID 91692981

IUPACpropyl 2-[methyl-[2-[methyl(2-methylpropoxycarbonyl)amino]acetyl]amino]acetate
SMILESCCCOC(=O)CN(C)C(=O)CN(C)C(=O)OCC(C)C
InChIInChI=1S/C14H26N2O5/c1-6-7-20-13(18)9-15(4)12(17)8-16(5)14(19)21-10-11(2)3/h11H,6-10H2,1-5H3
InChIKeyZJEQLWFJQXQOOA-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.12
Rot. Bonds8

About propyl 2-[methyl-[2-[methyl(2-methylpropoxycarbonyl)amino]acetyl]amino]acetate

propyl 2-[methyl-[2-[methyl(2-methylpropoxycarbonyl)amino]acetyl]amino]acetate (PubChem CID 91692981) has the molecular formula C14H26N2O5 and a molecular weight of 302.37 g/mol. Its IUPAC name is propyl 2-[methyl-[2-[methyl(2-methylpropoxycarbonyl)amino]acetyl]amino]acetate.

Molecular Properties

Compound Namepropyl 2-[methyl-[2-[methyl(2-methylpropoxycarbonyl)amino]acetyl]amino]acetate
PubChem CID91692981
Molecular FormulaC14H26N2O5
Molecular Weight302.37 g/mol
Exact Mass302.18
IUPAC Namepropyl 2-[methyl-[2-[methyl(2-methylpropoxycarbonyl)amino]acetyl]amino]acetate
SMILESCCCOC(=O)CN(C)C(=O)CN(C)C(=O)OCC(C)C
InChIInChI=1S/C14H26N2O5/c1-6-7-20-13(18)9-15(4)12(17)8-16(5)14(19)21-10-11(2)3/h11H,6-10H2,1-5H3
InChIKeyZJEQLWFJQXQOOA-UHFFFAOYSA-N
XLogP1.12
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propyl 2-[methyl-[2-[methyl(2-methylpropoxycarbonyl)amino]acetyl]amino]acetate?
The IUPAC name of propyl 2-[methyl-[2-[methyl(2-methylpropoxycarbonyl)amino]acetyl]amino]acetate (CID 91692981) is propyl 2-[methyl-[2-[methyl(2-methylpropoxycarbonyl)amino]acetyl]amino]acetate.
What is the SMILES notation for propyl 2-[methyl-[2-[methyl(2-methylpropoxycarbonyl)amino]acetyl]amino]acetate?
The canonical SMILES for propyl 2-[methyl-[2-[methyl(2-methylpropoxycarbonyl)amino]acetyl]amino]acetate is CCCOC(=O)CN(C)C(=O)CN(C)C(=O)OCC(C)C.
What is the InChIKey of propyl 2-[methyl-[2-[methyl(2-methylpropoxycarbonyl)amino]acetyl]amino]acetate?
The InChIKey is ZJEQLWFJQXQOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O5/c1-6-7-20-13(18)9-15(4)12(17)8-16(5)14(19)21-10-11(2)3/h11H,6-10H2,1-5H3.
What are the key properties of propyl 2-[methyl-[2-[methyl(2-methylpropoxycarbonyl)amino]acetyl]amino]acetate?
propyl 2-[methyl-[2-[methyl(2-methylpropoxycarbonyl)amino]acetyl]amino]acetate has a molecular weight of 302.37 g/mol, XLogP of 1.12, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[methyl-[2-[methyl(2-methylpropoxycarbonyl)amino]acetyl]amino]acetate is sourced from PubChem (CID 91692981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).