methyl 2-[[5-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]acetate

C15H28N2O5 — CID 132521354

IUPACmethyl 2-[[5-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]acetate
SMILESCOC(=O)CNC(=O)CCC(NC(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C15H28N2O5/c1-10(2)11(17-14(20)22-15(3,4)5)7-8-12(18)16-9-13(19)21-6/h10-11H,7-9H2,1-6H3,(H,16,18)(H,17,20)
InChIKeyVNVRDLHCOWJVKR-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.61
Rot. Bonds7

About methyl 2-[[5-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]acetate

methyl 2-[[5-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]acetate (PubChem CID 132521354) has the molecular formula C15H28N2O5 and a molecular weight of 316.40 g/mol. Its IUPAC name is methyl 2-[[5-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[5-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]acetate
PubChem CID132521354
Molecular FormulaC15H28N2O5
Molecular Weight316.40 g/mol
Exact Mass316.20
IUPAC Namemethyl 2-[[5-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]acetate
SMILESCOC(=O)CNC(=O)CCC(NC(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C15H28N2O5/c1-10(2)11(17-14(20)22-15(3,4)5)7-8-12(18)16-9-13(19)21-6/h10-11H,7-9H2,1-6H3,(H,16,18)(H,17,20)
InChIKeyVNVRDLHCOWJVKR-UHFFFAOYSA-N
XLogP1.61
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]acetate?
The IUPAC name of methyl 2-[[5-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]acetate (CID 132521354) is methyl 2-[[5-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[5-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]acetate?
The canonical SMILES for methyl 2-[[5-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]acetate is COC(=O)CNC(=O)CCC(NC(=O)OC(C)(C)C)C(C)C.
What is the InChIKey of methyl 2-[[5-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]acetate?
The InChIKey is VNVRDLHCOWJVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O5/c1-10(2)11(17-14(20)22-15(3,4)5)7-8-12(18)16-9-13(19)21-6/h10-11H,7-9H2,1-6H3,(H,16,18)(H,17,20).
What are the key properties of methyl 2-[[5-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]acetate?
methyl 2-[[5-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]acetate has a molecular weight of 316.40 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]acetate is sourced from PubChem (CID 132521354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).