[2-(propan-2-ylamino)acetyl] 2-(propan-2-ylamino)acetate;sulfuric acid

C10H22N2O7S — CID 174576652

IUPAC[2-(propan-2-ylamino)acetyl] 2-(propan-2-ylamino)acetate;sulfuric acid
SMILESCC(C)NCC(=O)OC(=O)CNC(C)C.O=S(=O)(O)O
InChIInChI=1S/C10H20N2O3.H2O4S/c1-7(2)11-5-9(13)15-10(14)6-12-8(3)4;1-5(2,3)4/h7-8,11-12H,5-6H2,1-4H3;(H2,1,2,3,4)
InChIKeyDXDZBTQNWWTNBE-UHFFFAOYSA-N
MW314.36 g/mol
LogP-0.60
Rot. Bonds6

About [2-(propan-2-ylamino)acetyl] 2-(propan-2-ylamino)acetate;sulfuric acid

[2-(propan-2-ylamino)acetyl] 2-(propan-2-ylamino)acetate;sulfuric acid (PubChem CID 174576652) has the molecular formula C10H22N2O7S and a molecular weight of 314.36 g/mol. Its IUPAC name is [2-(propan-2-ylamino)acetyl] 2-(propan-2-ylamino)acetate;sulfuric acid.

Molecular Properties

Compound Name[2-(propan-2-ylamino)acetyl] 2-(propan-2-ylamino)acetate;sulfuric acid
PubChem CID174576652
Molecular FormulaC10H22N2O7S
Molecular Weight314.36 g/mol
Exact Mass314.11
IUPAC Name[2-(propan-2-ylamino)acetyl] 2-(propan-2-ylamino)acetate;sulfuric acid
SMILESCC(C)NCC(=O)OC(=O)CNC(C)C.O=S(=O)(O)O
InChIInChI=1S/C10H20N2O3.H2O4S/c1-7(2)11-5-9(13)15-10(14)6-12-8(3)4;1-5(2,3)4/h7-8,11-12H,5-6H2,1-4H3;(H2,1,2,3,4)
InChIKeyDXDZBTQNWWTNBE-UHFFFAOYSA-N
XLogP-0.60
TPSA142.03 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 5-0.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', '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;sulfuric acid?
The IUPAC name of [2-(propan-2-ylamino)acetyl] 2-(propan-2-ylamino)acetate;sulfuric acid (CID 174576652) is [2-(propan-2-ylamino)acetyl] 2-(propan-2-ylamino)acetate;sulfuric acid.
What is the SMILES notation for [2-(propan-2-ylamino)acetyl] 2-(propan-2-ylamino)acetate;sulfuric acid?
The canonical SMILES for [2-(propan-2-ylamino)acetyl] 2-(propan-2-ylamino)acetate;sulfuric acid is CC(C)NCC(=O)OC(=O)CNC(C)C.O=S(=O)(O)O.
What is the InChIKey of [2-(propan-2-ylamino)acetyl] 2-(propan-2-ylamino)acetate;sulfuric acid?
The InChIKey is DXDZBTQNWWTNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3.H2O4S/c1-7(2)11-5-9(13)15-10(14)6-12-8(3)4;1-5(2,3)4/h7-8,11-12H,5-6H2,1-4H3;(H2,1,2,3,4).
What are the key properties of [2-(propan-2-ylamino)acetyl] 2-(propan-2-ylamino)acetate;sulfuric acid?
[2-(propan-2-ylamino)acetyl] 2-(propan-2-ylamino)acetate;sulfuric acid has a molecular weight of 314.36 g/mol, XLogP of -0.60, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(propan-2-ylamino)acetyl] 2-(propan-2-ylamino)acetate;sulfuric acid is sourced from PubChem (CID 174576652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).