[2-(2-methylpropanoylamino)acetyl] butaneperoxoate

C10H17NO5 — CID 126720929

IUPAC[2-(2-methylpropanoylamino)acetyl] butaneperoxoate
SMILESCCCC(=O)OOC(=O)CNC(=O)C(C)C
InChIInChI=1S/C10H17NO5/c1-4-5-8(12)15-16-9(13)6-11-10(14)7(2)3/h7H,4-6H2,1-3H3,(H,11,14)
InChIKeyBBDMIFSGGUPNOH-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.56
Rot. Bonds5

About [2-(2-methylpropanoylamino)acetyl] butaneperoxoate

[2-(2-methylpropanoylamino)acetyl] butaneperoxoate (PubChem CID 126720929) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is [2-(2-methylpropanoylamino)acetyl] butaneperoxoate.

Molecular Properties

Compound Name[2-(2-methylpropanoylamino)acetyl] butaneperoxoate
PubChem CID126720929
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name[2-(2-methylpropanoylamino)acetyl] butaneperoxoate
SMILESCCCC(=O)OOC(=O)CNC(=O)C(C)C
InChIInChI=1S/C10H17NO5/c1-4-5-8(12)15-16-9(13)6-11-10(14)7(2)3/h7H,4-6H2,1-3H3,(H,11,14)
InChIKeyBBDMIFSGGUPNOH-UHFFFAOYSA-N
XLogP0.56
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-aminopropanoyl butaneperoxoate
CID 139674413
carbonochloridoyl butaneperoxoate
CID 126720955
acetyl butaneperoxoate;aziridin-2-one
CID 126720861
CID 171374935
CID 171374935
butanoyl octaneperoxoate
CID 155389347
N-ethyl-2-methylpropanamide;N-propan-2-ylbutanamide
CID 158607783
CID 157105034
CID 157105034
dibutanoyl butanedioate
CID 88643975
butanoyl (E)-2-methylpent-3-eneperoxoate
CID 140796411
3-methylbutyl butaneperoxoate
CID 54566629
N-(2-hydroxy-2-propylpentyl)-2-methylpropanamide
CID 111444753
N-(2-amino-2-sulfanylideneethyl)-2-methylpropanamide
CID 61127271

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropanoylamino)acetyl] butaneperoxoate?
The IUPAC name of [2-(2-methylpropanoylamino)acetyl] butaneperoxoate (CID 126720929) is [2-(2-methylpropanoylamino)acetyl] butaneperoxoate.
What is the SMILES notation for [2-(2-methylpropanoylamino)acetyl] butaneperoxoate?
The canonical SMILES for [2-(2-methylpropanoylamino)acetyl] butaneperoxoate is CCCC(=O)OOC(=O)CNC(=O)C(C)C.
What is the InChIKey of [2-(2-methylpropanoylamino)acetyl] butaneperoxoate?
The InChIKey is BBDMIFSGGUPNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c1-4-5-8(12)15-16-9(13)6-11-10(14)7(2)3/h7H,4-6H2,1-3H3,(H,11,14).
What are the key properties of [2-(2-methylpropanoylamino)acetyl] butaneperoxoate?
[2-(2-methylpropanoylamino)acetyl] butaneperoxoate has a molecular weight of 231.25 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropanoylamino)acetyl] butaneperoxoate is sourced from PubChem (CID 126720929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).