ethyl 2-(tert-butylamino)-2-oxoacetate;ethyl 2-methylprop-2-enoate

C14H25NO5 — CID 19391810

IUPACethyl 2-(tert-butylamino)-2-oxoacetate;ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC.CCOC(=O)C(=O)NC(C)(C)C
InChIInChI=1S/C8H15NO3.C6H10O2/c1-5-12-7(11)6(10)9-8(2,3)4;1-4-8-6(7)5(2)3/h5H2,1-4H3,(H,9,10);2,4H2,1,3H3
InChIKeyPFUMENONSULIJU-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.59
Rot. Bonds3

About ethyl 2-(tert-butylamino)-2-oxoacetate;ethyl 2-methylprop-2-enoate

ethyl 2-(tert-butylamino)-2-oxoacetate;ethyl 2-methylprop-2-enoate (PubChem CID 19391810) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is ethyl 2-(tert-butylamino)-2-oxoacetate;ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Nameethyl 2-(tert-butylamino)-2-oxoacetate;ethyl 2-methylprop-2-enoate
PubChem CID19391810
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Nameethyl 2-(tert-butylamino)-2-oxoacetate;ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC.CCOC(=O)C(=O)NC(C)(C)C
InChIInChI=1S/C8H15NO3.C6H10O2/c1-5-12-7(11)6(10)9-8(2,3)4;1-4-8-6(7)5(2)3/h5H2,1-4H3,(H,9,10);2,4H2,1,3H3
InChIKeyPFUMENONSULIJU-UHFFFAOYSA-N
XLogP1.59
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-methylprop-2-enoate
CID 130475774
sodium ethyl 2-methylprop-2-enoate
CID 23346885
ethyl 2-methylprop-2-enoate;phosphane
CID 159151613
ethane;bis(ethyl 2-methylprop-2-enoate)
CID 146295289
ethyl 2-methylprop-2-enoate;methane
CID 159235789
sodium;ethyl 2-methylprop-2-enoate;hydride
CID 173442862
ethenol;ethyl 2-methylprop-2-enoate
CID 174606807
ethyl 2-methylprop-2-enoate;N-methylformamide
CID 158565771
butanedioic acid;bis(ethyl 2-methylprop-2-enoate)
CID 22400036
cyanic acid;ethyl 2-methylprop-2-enoate
CID 172737974
2-ethylbut-1-en-1-amine;ethyl 2-methylprop-2-enoate
CID 175401035
adamantane;ethyl 2-methylprop-2-enoate
CID 175529705

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(tert-butylamino)-2-oxoacetate;ethyl 2-methylprop-2-enoate?
The IUPAC name of ethyl 2-(tert-butylamino)-2-oxoacetate;ethyl 2-methylprop-2-enoate (CID 19391810) is ethyl 2-(tert-butylamino)-2-oxoacetate;ethyl 2-methylprop-2-enoate.
What is the SMILES notation for ethyl 2-(tert-butylamino)-2-oxoacetate;ethyl 2-methylprop-2-enoate?
The canonical SMILES for ethyl 2-(tert-butylamino)-2-oxoacetate;ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC.CCOC(=O)C(=O)NC(C)(C)C.
What is the InChIKey of ethyl 2-(tert-butylamino)-2-oxoacetate;ethyl 2-methylprop-2-enoate?
The InChIKey is PFUMENONSULIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3.C6H10O2/c1-5-12-7(11)6(10)9-8(2,3)4;1-4-8-6(7)5(2)3/h5H2,1-4H3,(H,9,10);2,4H2,1,3H3.
What are the key properties of ethyl 2-(tert-butylamino)-2-oxoacetate;ethyl 2-methylprop-2-enoate?
ethyl 2-(tert-butylamino)-2-oxoacetate;ethyl 2-methylprop-2-enoate has a molecular weight of 287.36 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(tert-butylamino)-2-oxoacetate;ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 19391810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).