Methyl 5-(2-methylbut-3-en-2-ylamino)-3,5-dioxopentanoate

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Basic information

CAS: 69673-61-6
Standard SMILES: C=CC(C)(C)NC(=O)CC(=O)CC(=O)OC
InChIKey: CZRDQLHICZHPNB-UHFFFAOYSA-N
Molecular formula: C11H17NO4
Average molar mass: 227.26 g/mol
Monoisotopic mass: 227.11575802

Names & identifiers

Preferred name: Methyl 5-(2-methylbut-3-en-2-ylamino)-3,5-dioxopentanoate
IUPAC: methyl 5-(2-methylbut-3-en-2-ylamino)-3,5-dioxopentanoate

Names & synonyms

69673-61-6methyl 5-(2-methylbut-3-en-2-ylamino)-3,5-dioxopentanoateNSC118688methyl 5-[(2-methylbut-3-en-2-yl)amino]-3,5-dioxopentanoateDTXSID30297860NSC-118688

Database identifiers

CAS: 69673-61-6
PubChem CID: 273446
DTXSID: DTXSID30297860

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 72.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 16
Formal charge: 0
Complexity: 307

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