(2-acetamido-3-aminopropanoyl)peroxymethyl 2-methylprop-2-enoate

C10H16N2O6 — CID 18175370

IUPAC(2-acetamido-3-aminopropanoyl)peroxymethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCOOC(=O)C(CN)NC(C)=O
InChIInChI=1S/C10H16N2O6/c1-6(2)9(14)16-5-17-18-10(15)8(4-11)12-7(3)13/h8H,1,4-5,11H2,2-3H3,(H,12,13)
InChIKeyDLUWGIBNGXQXAP-UHFFFAOYSA-N
MW260.25 g/mol
LogP-1.00
Rot. Bonds7

About (2-acetamido-3-aminopropanoyl)peroxymethyl 2-methylprop-2-enoate

(2-acetamido-3-aminopropanoyl)peroxymethyl 2-methylprop-2-enoate (PubChem CID 18175370) has the molecular formula C10H16N2O6 and a molecular weight of 260.25 g/mol. Its IUPAC name is (2-acetamido-3-aminopropanoyl)peroxymethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2-acetamido-3-aminopropanoyl)peroxymethyl 2-methylprop-2-enoate
PubChem CID18175370
Molecular FormulaC10H16N2O6
Molecular Weight260.25 g/mol
Exact Mass260.10
IUPAC Name(2-acetamido-3-aminopropanoyl)peroxymethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCOOC(=O)C(CN)NC(C)=O
InChIInChI=1S/C10H16N2O6/c1-6(2)9(14)16-5-17-18-10(15)8(4-11)12-7(3)13/h8H,1,4-5,11H2,2-3H3,(H,12,13)
InChIKeyDLUWGIBNGXQXAP-UHFFFAOYSA-N
XLogP-1.00
TPSA116.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-acetamido-3-aminopropanoyl)peroxymethyl 2-methylprop-2-enoate?
The IUPAC name of (2-acetamido-3-aminopropanoyl)peroxymethyl 2-methylprop-2-enoate (CID 18175370) is (2-acetamido-3-aminopropanoyl)peroxymethyl 2-methylprop-2-enoate.
What is the SMILES notation for (2-acetamido-3-aminopropanoyl)peroxymethyl 2-methylprop-2-enoate?
The canonical SMILES for (2-acetamido-3-aminopropanoyl)peroxymethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCOOC(=O)C(CN)NC(C)=O.
What is the InChIKey of (2-acetamido-3-aminopropanoyl)peroxymethyl 2-methylprop-2-enoate?
The InChIKey is DLUWGIBNGXQXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O6/c1-6(2)9(14)16-5-17-18-10(15)8(4-11)12-7(3)13/h8H,1,4-5,11H2,2-3H3,(H,12,13).
What are the key properties of (2-acetamido-3-aminopropanoyl)peroxymethyl 2-methylprop-2-enoate?
(2-acetamido-3-aminopropanoyl)peroxymethyl 2-methylprop-2-enoate has a molecular weight of 260.25 g/mol, XLogP of -1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetamido-3-aminopropanoyl)peroxymethyl 2-methylprop-2-enoate is sourced from PubChem (CID 18175370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).