bis(propan-2-ylamino) oxalate

C8H16N2O4 — CID 57282592

IUPACbis(propan-2-ylamino) oxalate
SMILESCC(C)NOC(=O)C(=O)ONC(C)C
InChIInChI=1S/C8H16N2O4/c1-5(2)9-13-7(11)8(12)14-10-6(3)4/h5-6,9-10H,1-4H3
InChIKeyNCURGSUAWZDABE-UHFFFAOYSA-N
MW204.23 g/mol
LogP-0.10
Rot. Bonds4

About bis(propan-2-ylamino) oxalate

bis(propan-2-ylamino) oxalate (PubChem CID 57282592) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is bis(propan-2-ylamino) oxalate.

Molecular Properties

Compound Namebis(propan-2-ylamino) oxalate
PubChem CID57282592
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Namebis(propan-2-ylamino) oxalate
SMILESCC(C)NOC(=O)C(=O)ONC(C)C
InChIInChI=1S/C8H16N2O4/c1-5(2)9-13-7(11)8(12)14-10-6(3)4/h5-6,9-10H,1-4H3
InChIKeyNCURGSUAWZDABE-UHFFFAOYSA-N
XLogP-0.10
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(propan-2-ylamino) oxalate?
The IUPAC name of bis(propan-2-ylamino) oxalate (CID 57282592) is bis(propan-2-ylamino) oxalate.
What is the SMILES notation for bis(propan-2-ylamino) oxalate?
The canonical SMILES for bis(propan-2-ylamino) oxalate is CC(C)NOC(=O)C(=O)ONC(C)C.
What is the InChIKey of bis(propan-2-ylamino) oxalate?
The InChIKey is NCURGSUAWZDABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4/c1-5(2)9-13-7(11)8(12)14-10-6(3)4/h5-6,9-10H,1-4H3.
What are the key properties of bis(propan-2-ylamino) oxalate?
bis(propan-2-ylamino) oxalate has a molecular weight of 204.23 g/mol, XLogP of -0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(propan-2-ylamino) oxalate is sourced from PubChem (CID 57282592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).