[2-(propan-2-ylamino)acetyl] 2-(propan-2-ylamino)acetate

C10H20N2O3 — CID 174576653

IUPAC[2-(propan-2-ylamino)acetyl] 2-(propan-2-ylamino)acetate
SMILESCC(C)NCC(=O)OC(=O)CNC(C)C
InChIInChI=1S/C10H20N2O3/c1-7(2)11-5-9(13)15-10(14)6-12-8(3)4/h7-8,11-12H,5-6H2,1-4H3
InChIKeyXUNNGZNUUDOITP-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.05
Rot. Bonds6

About [2-(propan-2-ylamino)acetyl] 2-(propan-2-ylamino)acetate

[2-(propan-2-ylamino)acetyl] 2-(propan-2-ylamino)acetate (PubChem CID 174576653) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is [2-(propan-2-ylamino)acetyl] 2-(propan-2-ylamino)acetate.

Molecular Properties

Compound Name[2-(propan-2-ylamino)acetyl] 2-(propan-2-ylamino)acetate
PubChem CID174576653
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name[2-(propan-2-ylamino)acetyl] 2-(propan-2-ylamino)acetate
SMILESCC(C)NCC(=O)OC(=O)CNC(C)C
InChIInChI=1S/C10H20N2O3/c1-7(2)11-5-9(13)15-10(14)6-12-8(3)4/h7-8,11-12H,5-6H2,1-4H3
InChIKeyXUNNGZNUUDOITP-UHFFFAOYSA-N
XLogP0.05
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(propan-2-ylamino)acetyl] 2-(propan-2-ylamino)acetate?
The IUPAC name of [2-(propan-2-ylamino)acetyl] 2-(propan-2-ylamino)acetate (CID 174576653) is [2-(propan-2-ylamino)acetyl] 2-(propan-2-ylamino)acetate.
What is the SMILES notation for [2-(propan-2-ylamino)acetyl] 2-(propan-2-ylamino)acetate?
The canonical SMILES for [2-(propan-2-ylamino)acetyl] 2-(propan-2-ylamino)acetate is CC(C)NCC(=O)OC(=O)CNC(C)C.
What is the InChIKey of [2-(propan-2-ylamino)acetyl] 2-(propan-2-ylamino)acetate?
The InChIKey is XUNNGZNUUDOITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-7(2)11-5-9(13)15-10(14)6-12-8(3)4/h7-8,11-12H,5-6H2,1-4H3.
What are the key properties of [2-(propan-2-ylamino)acetyl] 2-(propan-2-ylamino)acetate?
[2-(propan-2-ylamino)acetyl] 2-(propan-2-ylamino)acetate has a molecular weight of 216.28 g/mol, XLogP of 0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(propan-2-ylamino)acetyl] 2-(propan-2-ylamino)acetate is sourced from PubChem (CID 174576653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).