propan-2-yl 4-[4-(2-methylprop-2-enoyloxy)butylamino]-4-oxobutanoate

C15H25NO5 — CID 59532860

IUPACpropan-2-yl 4-[4-(2-methylprop-2-enoyloxy)butylamino]-4-oxobutanoate
SMILESC=C(C)C(=O)OCCCCNC(=O)CCC(=O)OC(C)C
InChIInChI=1S/C15H25NO5/c1-11(2)15(19)20-10-6-5-9-16-13(17)7-8-14(18)21-12(3)4/h12H,1,5-10H2,2-4H3,(H,16,17)
InChIKeyFUETTXATXGUTGT-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.73
Rot. Bonds10

About propan-2-yl 4-[4-(2-methylprop-2-enoyloxy)butylamino]-4-oxobutanoate

propan-2-yl 4-[4-(2-methylprop-2-enoyloxy)butylamino]-4-oxobutanoate (PubChem CID 59532860) has the molecular formula C15H25NO5 and a molecular weight of 299.37 g/mol. Its IUPAC name is propan-2-yl 4-[4-(2-methylprop-2-enoyloxy)butylamino]-4-oxobutanoate.

Molecular Properties

Compound Namepropan-2-yl 4-[4-(2-methylprop-2-enoyloxy)butylamino]-4-oxobutanoate
PubChem CID59532860
Molecular FormulaC15H25NO5
Molecular Weight299.37 g/mol
Exact Mass299.17
IUPAC Namepropan-2-yl 4-[4-(2-methylprop-2-enoyloxy)butylamino]-4-oxobutanoate
SMILESC=C(C)C(=O)OCCCCNC(=O)CCC(=O)OC(C)C
InChIInChI=1S/C15H25NO5/c1-11(2)15(19)20-10-6-5-9-16-13(17)7-8-14(18)21-12(3)4/h12H,1,5-10H2,2-4H3,(H,16,17)
InChIKeyFUETTXATXGUTGT-UHFFFAOYSA-N
XLogP1.73
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[4-(2-methylprop-2-enoyloxy)butylamino]-4-oxobutanoate?
The IUPAC name of propan-2-yl 4-[4-(2-methylprop-2-enoyloxy)butylamino]-4-oxobutanoate (CID 59532860) is propan-2-yl 4-[4-(2-methylprop-2-enoyloxy)butylamino]-4-oxobutanoate.
What is the SMILES notation for propan-2-yl 4-[4-(2-methylprop-2-enoyloxy)butylamino]-4-oxobutanoate?
The canonical SMILES for propan-2-yl 4-[4-(2-methylprop-2-enoyloxy)butylamino]-4-oxobutanoate is C=C(C)C(=O)OCCCCNC(=O)CCC(=O)OC(C)C.
What is the InChIKey of propan-2-yl 4-[4-(2-methylprop-2-enoyloxy)butylamino]-4-oxobutanoate?
The InChIKey is FUETTXATXGUTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO5/c1-11(2)15(19)20-10-6-5-9-16-13(17)7-8-14(18)21-12(3)4/h12H,1,5-10H2,2-4H3,(H,16,17).
What are the key properties of propan-2-yl 4-[4-(2-methylprop-2-enoyloxy)butylamino]-4-oxobutanoate?
propan-2-yl 4-[4-(2-methylprop-2-enoyloxy)butylamino]-4-oxobutanoate has a molecular weight of 299.37 g/mol, XLogP of 1.73, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[4-(2-methylprop-2-enoyloxy)butylamino]-4-oxobutanoate is sourced from PubChem (CID 59532860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).