dimethyl 2-[propan-2-yl(propan-2-ylcarbamoyl)amino]butanedioate

C13H24N2O5 — CID 11778856

IUPACdimethyl 2-[propan-2-yl(propan-2-ylcarbamoyl)amino]butanedioate
SMILESCOC(=O)CC(C(=O)OC)N(C(=O)NC(C)C)C(C)C
InChIInChI=1S/C13H24N2O5/c1-8(2)14-13(18)15(9(3)4)10(12(17)20-6)7-11(16)19-5/h8-10H,7H2,1-6H3,(H,14,18)
InChIKeyPFJBYKITYKHBQM-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.92
Rot. Bonds6

About dimethyl 2-[propan-2-yl(propan-2-ylcarbamoyl)amino]butanedioate

dimethyl 2-[propan-2-yl(propan-2-ylcarbamoyl)amino]butanedioate (PubChem CID 11778856) has the molecular formula C13H24N2O5 and a molecular weight of 288.34 g/mol. Its IUPAC name is dimethyl 2-[propan-2-yl(propan-2-ylcarbamoyl)amino]butanedioate.

Molecular Properties

Compound Namedimethyl 2-[propan-2-yl(propan-2-ylcarbamoyl)amino]butanedioate
PubChem CID11778856
Molecular FormulaC13H24N2O5
Molecular Weight288.34 g/mol
Exact Mass288.17
IUPAC Namedimethyl 2-[propan-2-yl(propan-2-ylcarbamoyl)amino]butanedioate
SMILESCOC(=O)CC(C(=O)OC)N(C(=O)NC(C)C)C(C)C
InChIInChI=1S/C13H24N2O5/c1-8(2)14-13(18)15(9(3)4)10(12(17)20-6)7-11(16)19-5/h8-10H,7H2,1-6H3,(H,14,18)
InChIKeyPFJBYKITYKHBQM-UHFFFAOYSA-N
XLogP0.92
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[propan-2-yl(propan-2-ylcarbamoyl)amino]butanedioate?
The IUPAC name of dimethyl 2-[propan-2-yl(propan-2-ylcarbamoyl)amino]butanedioate (CID 11778856) is dimethyl 2-[propan-2-yl(propan-2-ylcarbamoyl)amino]butanedioate.
What is the SMILES notation for dimethyl 2-[propan-2-yl(propan-2-ylcarbamoyl)amino]butanedioate?
The canonical SMILES for dimethyl 2-[propan-2-yl(propan-2-ylcarbamoyl)amino]butanedioate is COC(=O)CC(C(=O)OC)N(C(=O)NC(C)C)C(C)C.
What is the InChIKey of dimethyl 2-[propan-2-yl(propan-2-ylcarbamoyl)amino]butanedioate?
The InChIKey is PFJBYKITYKHBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5/c1-8(2)14-13(18)15(9(3)4)10(12(17)20-6)7-11(16)19-5/h8-10H,7H2,1-6H3,(H,14,18).
What are the key properties of dimethyl 2-[propan-2-yl(propan-2-ylcarbamoyl)amino]butanedioate?
dimethyl 2-[propan-2-yl(propan-2-ylcarbamoyl)amino]butanedioate has a molecular weight of 288.34 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[propan-2-yl(propan-2-ylcarbamoyl)amino]butanedioate is sourced from PubChem (CID 11778856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).