butyl 2-[2-[methoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate

C14H26N2O5 — CID 91709722

IUPACbutyl 2-[2-[methoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate
SMILESCCCCOC(=O)C(C)N(C)C(=O)C(C)N(C)C(=O)OC
InChIInChI=1S/C14H26N2O5/c1-7-8-9-21-13(18)11(3)15(4)12(17)10(2)16(5)14(19)20-6/h10-11H,7-9H2,1-6H3
InChIKeySMADQCRFIYYOQR-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.26
Rot. Bonds7

About butyl 2-[2-[methoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate

butyl 2-[2-[methoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate (PubChem CID 91709722) has the molecular formula C14H26N2O5 and a molecular weight of 302.37 g/mol. Its IUPAC name is butyl 2-[2-[methoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate.

Molecular Properties

Compound Namebutyl 2-[2-[methoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate
PubChem CID91709722
Molecular FormulaC14H26N2O5
Molecular Weight302.37 g/mol
Exact Mass302.18
IUPAC Namebutyl 2-[2-[methoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate
SMILESCCCCOC(=O)C(C)N(C)C(=O)C(C)N(C)C(=O)OC
InChIInChI=1S/C14H26N2O5/c1-7-8-9-21-13(18)11(3)15(4)12(17)10(2)16(5)14(19)20-6/h10-11H,7-9H2,1-6H3
InChIKeySMADQCRFIYYOQR-UHFFFAOYSA-N
XLogP1.26
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl 2-[2-[methoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate?
The IUPAC name of butyl 2-[2-[methoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate (CID 91709722) is butyl 2-[2-[methoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate.
What is the SMILES notation for butyl 2-[2-[methoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate?
The canonical SMILES for butyl 2-[2-[methoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate is CCCCOC(=O)C(C)N(C)C(=O)C(C)N(C)C(=O)OC.
What is the InChIKey of butyl 2-[2-[methoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate?
The InChIKey is SMADQCRFIYYOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O5/c1-7-8-9-21-13(18)11(3)15(4)12(17)10(2)16(5)14(19)20-6/h10-11H,7-9H2,1-6H3.
What are the key properties of butyl 2-[2-[methoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate?
butyl 2-[2-[methoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate has a molecular weight of 302.37 g/mol, XLogP of 1.26, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[2-[methoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate is sourced from PubChem (CID 91709722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).