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

C15H28N2O5 — CID 91693557

IUPACbutyl 2-[methyl-[2-[methyl(2-methylpropoxycarbonyl)amino]acetyl]amino]acetate
SMILESCCCCOC(=O)CN(C)C(=O)CN(C)C(=O)OCC(C)C
InChIInChI=1S/C15H28N2O5/c1-6-7-8-21-14(19)10-16(4)13(18)9-17(5)15(20)22-11-12(2)3/h12H,6-11H2,1-5H3
InChIKeyDHFKALVZKRFMAZ-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.51
Rot. Bonds9

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

butyl 2-[methyl-[2-[methyl(2-methylpropoxycarbonyl)amino]acetyl]amino]acetate (PubChem CID 91693557) has the molecular formula C15H28N2O5 and a molecular weight of 316.40 g/mol. Its IUPAC name is butyl 2-[methyl-[2-[methyl(2-methylpropoxycarbonyl)amino]acetyl]amino]acetate.

Molecular Properties

Compound Namebutyl 2-[methyl-[2-[methyl(2-methylpropoxycarbonyl)amino]acetyl]amino]acetate
PubChem CID91693557
Molecular FormulaC15H28N2O5
Molecular Weight316.40 g/mol
Exact Mass316.20
IUPAC Namebutyl 2-[methyl-[2-[methyl(2-methylpropoxycarbonyl)amino]acetyl]amino]acetate
SMILESCCCCOC(=O)CN(C)C(=O)CN(C)C(=O)OCC(C)C
InChIInChI=1S/C15H28N2O5/c1-6-7-8-21-14(19)10-16(4)13(18)9-17(5)15(20)22-11-12(2)3/h12H,6-11H2,1-5H3
InChIKeyDHFKALVZKRFMAZ-UHFFFAOYSA-N
XLogP1.51
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.51
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-[methyl-[2-[methyl(2-methylpropoxycarbonyl)amino]acetyl]amino]acetate?
The IUPAC name of butyl 2-[methyl-[2-[methyl(2-methylpropoxycarbonyl)amino]acetyl]amino]acetate (CID 91693557) is butyl 2-[methyl-[2-[methyl(2-methylpropoxycarbonyl)amino]acetyl]amino]acetate.
What is the SMILES notation for butyl 2-[methyl-[2-[methyl(2-methylpropoxycarbonyl)amino]acetyl]amino]acetate?
The canonical SMILES for butyl 2-[methyl-[2-[methyl(2-methylpropoxycarbonyl)amino]acetyl]amino]acetate is CCCCOC(=O)CN(C)C(=O)CN(C)C(=O)OCC(C)C.
What is the InChIKey of butyl 2-[methyl-[2-[methyl(2-methylpropoxycarbonyl)amino]acetyl]amino]acetate?
The InChIKey is DHFKALVZKRFMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O5/c1-6-7-8-21-14(19)10-16(4)13(18)9-17(5)15(20)22-11-12(2)3/h12H,6-11H2,1-5H3.
What are the key properties of butyl 2-[methyl-[2-[methyl(2-methylpropoxycarbonyl)amino]acetyl]amino]acetate?
butyl 2-[methyl-[2-[methyl(2-methylpropoxycarbonyl)amino]acetyl]amino]acetate has a molecular weight of 316.40 g/mol, XLogP of 1.51, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[methyl-[2-[methyl(2-methylpropoxycarbonyl)amino]acetyl]amino]acetate is sourced from PubChem (CID 91693557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).