methyl 4-(tert-butylamino)-2-ethylbut-2-enoate

C11H21NO2 — CID 103235173

IUPACmethyl 4-(tert-butylamino)-2-ethylbut-2-enoate
SMILESCCC(=CCNC(C)(C)C)C(=O)OC
InChIInChI=1S/C11H21NO2/c1-6-9(10(13)14-5)7-8-12-11(2,3)4/h7,12H,6,8H2,1-5H3
InChIKeyKBNKTONBNMKKBD-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.88
Rot. Bonds4

About methyl 4-(tert-butylamino)-2-ethylbut-2-enoate

methyl 4-(tert-butylamino)-2-ethylbut-2-enoate (PubChem CID 103235173) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is methyl 4-(tert-butylamino)-2-ethylbut-2-enoate.

Molecular Properties

Compound Namemethyl 4-(tert-butylamino)-2-ethylbut-2-enoate
PubChem CID103235173
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namemethyl 4-(tert-butylamino)-2-ethylbut-2-enoate
SMILESCCC(=CCNC(C)(C)C)C(=O)OC
InChIInChI=1S/C11H21NO2/c1-6-9(10(13)14-5)7-8-12-11(2,3)4/h7,12H,6,8H2,1-5H3
InChIKeyKBNKTONBNMKKBD-UHFFFAOYSA-N
XLogP1.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-ethylbut-2-enoate
CID 103242985
methyl 4-(tert-butylamino)-2-methylbut-2-enoate
CID 103728179
methyl 2-ethyl-4-[(2-methylpropan-2-yl)oxy]but-2-enoate
CID 77100393
methyl (Z)-4-(4-tert-butylanilino)-2-ethylbut-2-enoate
CID 103232175
methyl (Z)-2-ethyl-4-(2-methylpentan-3-ylamino)but-2-enoate
CID 103244160
methyl 4-(cyclopropylmethylamino)-2-ethylbut-2-enoate
CID 103231152
methyl 4-[(2-amino-2-oxoethyl)amino]-2-ethylbut-2-enoate
CID 103235215
methyl 4-(1,3-dihydroxypropan-2-ylamino)-2-ethylbut-2-enoate
CID 103237021
methyl 2-ethyl-4-(3-methoxy-3-methylbutoxy)but-2-enoate
CID 106664747
methyl 2-ethyl-4-(1-hydroxypropan-2-ylamino)but-2-enoate
CID 103238289
methyl 2-ethyl-4-(morpholin-4-ylamino)but-2-enoate
CID 103261045
methyl 2-ethyl-4-(2,2,3,3-tetrafluoropropylamino)but-2-enoate
CID 106294424

Frequently Asked Questions

What is the IUPAC name of methyl 4-(tert-butylamino)-2-ethylbut-2-enoate?
The IUPAC name of methyl 4-(tert-butylamino)-2-ethylbut-2-enoate (CID 103235173) is methyl 4-(tert-butylamino)-2-ethylbut-2-enoate.
What is the SMILES notation for methyl 4-(tert-butylamino)-2-ethylbut-2-enoate?
The canonical SMILES for methyl 4-(tert-butylamino)-2-ethylbut-2-enoate is CCC(=CCNC(C)(C)C)C(=O)OC.
What is the InChIKey of methyl 4-(tert-butylamino)-2-ethylbut-2-enoate?
The InChIKey is KBNKTONBNMKKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-6-9(10(13)14-5)7-8-12-11(2,3)4/h7,12H,6,8H2,1-5H3.
What are the key properties of methyl 4-(tert-butylamino)-2-ethylbut-2-enoate?
methyl 4-(tert-butylamino)-2-ethylbut-2-enoate has a molecular weight of 199.29 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(tert-butylamino)-2-ethylbut-2-enoate is sourced from PubChem (CID 103235173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).