bis[3-[(2-amino-2-methylpropanoyl)amino]-2,2-dimethylpropyl] oxalate

C20H38N4O6 — CID 57069971

IUPACbis[3-[(2-amino-2-methylpropanoyl)amino]-2,2-dimethylpropyl] oxalate
SMILESCC(C)(CNC(=O)C(C)(C)N)COC(=O)C(=O)OCC(C)(C)CNC(=O)C(C)(C)N
InChIInChI=1S/C20H38N4O6/c1-17(2,9-23-15(27)19(5,6)21)11-29-13(25)14(26)30-12-18(3,4)10-24-16(28)20(7,8)22/h9-12,21-22H2,1-8H3,(H,23,27)(H,24,28)
InChIKeyFMOZPXINMLEYJF-UHFFFAOYSA-N
MW430.55 g/mol
LogP-0.17
Rot. Bonds10

About bis[3-[(2-amino-2-methylpropanoyl)amino]-2,2-dimethylpropyl] oxalate

bis[3-[(2-amino-2-methylpropanoyl)amino]-2,2-dimethylpropyl] oxalate (PubChem CID 57069971) has the molecular formula C20H38N4O6 and a molecular weight of 430.55 g/mol. Its IUPAC name is bis[3-[(2-amino-2-methylpropanoyl)amino]-2,2-dimethylpropyl] oxalate.

Molecular Properties

Compound Namebis[3-[(2-amino-2-methylpropanoyl)amino]-2,2-dimethylpropyl] oxalate
PubChem CID57069971
Molecular FormulaC20H38N4O6
Molecular Weight430.55 g/mol
Exact Mass430.28
IUPAC Namebis[3-[(2-amino-2-methylpropanoyl)amino]-2,2-dimethylpropyl] oxalate
SMILESCC(C)(CNC(=O)C(C)(C)N)COC(=O)C(=O)OCC(C)(C)CNC(=O)C(C)(C)N
InChIInChI=1S/C20H38N4O6/c1-17(2,9-23-15(27)19(5,6)21)11-29-13(25)14(26)30-12-18(3,4)10-24-16(28)20(7,8)22/h9-12,21-22H2,1-8H3,(H,23,27)(H,24,28)
InChIKeyFMOZPXINMLEYJF-UHFFFAOYSA-N
XLogP-0.17
TPSA162.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 5-0.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis[3-[(2-amino-2-methylpropanoyl)amino]-2,2-dimethylpropyl] oxalate?
The IUPAC name of bis[3-[(2-amino-2-methylpropanoyl)amino]-2,2-dimethylpropyl] oxalate (CID 57069971) is bis[3-[(2-amino-2-methylpropanoyl)amino]-2,2-dimethylpropyl] oxalate.
What is the SMILES notation for bis[3-[(2-amino-2-methylpropanoyl)amino]-2,2-dimethylpropyl] oxalate?
The canonical SMILES for bis[3-[(2-amino-2-methylpropanoyl)amino]-2,2-dimethylpropyl] oxalate is CC(C)(CNC(=O)C(C)(C)N)COC(=O)C(=O)OCC(C)(C)CNC(=O)C(C)(C)N.
What is the InChIKey of bis[3-[(2-amino-2-methylpropanoyl)amino]-2,2-dimethylpropyl] oxalate?
The InChIKey is FMOZPXINMLEYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4O6/c1-17(2,9-23-15(27)19(5,6)21)11-29-13(25)14(26)30-12-18(3,4)10-24-16(28)20(7,8)22/h9-12,21-22H2,1-8H3,(H,23,27)(H,24,28).
What are the key properties of bis[3-[(2-amino-2-methylpropanoyl)amino]-2,2-dimethylpropyl] oxalate?
bis[3-[(2-amino-2-methylpropanoyl)amino]-2,2-dimethylpropyl] oxalate has a molecular weight of 430.55 g/mol, XLogP of -0.17, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis[3-[(2-amino-2-methylpropanoyl)amino]-2,2-dimethylpropyl] oxalate is sourced from PubChem (CID 57069971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).