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

C10H19NO2 — CID 103728179

IUPACmethyl 4-(tert-butylamino)-2-methylbut-2-enoate
SMILESCOC(=O)C(C)=CCNC(C)(C)C
InChIInChI=1S/C10H19NO2/c1-8(9(12)13-5)6-7-11-10(2,3)4/h6,11H,7H2,1-5H3
InChIKeyAESVIMSLMVPCEJ-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.49
Rot. Bonds3

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

methyl 4-(tert-butylamino)-2-methylbut-2-enoate (PubChem CID 103728179) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is methyl 4-(tert-butylamino)-2-methylbut-2-enoate.

Molecular Properties

Compound Namemethyl 4-(tert-butylamino)-2-methylbut-2-enoate
PubChem CID103728179
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namemethyl 4-(tert-butylamino)-2-methylbut-2-enoate
SMILESCOC(=O)C(C)=CCNC(C)(C)C
InChIInChI=1S/C10H19NO2/c1-8(9(12)13-5)6-7-11-10(2,3)4/h6,11H,7H2,1-5H3
InChIKeyAESVIMSLMVPCEJ-UHFFFAOYSA-N
XLogP1.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.49
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-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-methylbut-2-enoate
CID 103873315
methyl 4-(tert-butylamino)-2-ethylbut-2-enoate
CID 103235173
methyl (E)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate
CID 14539281
methyl 4-[[2-(dimethylamino)-2-methylpropyl]amino]-2-methylbut-2-enoate
CID 103247480
methyl (E)-4-(3,5-dimethylanilino)-2-methylbut-2-enoate
CID 103235708
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-2-enoate
CID 11379901
methyl (E)-4-(4-bromoanilino)-2-methylbut-2-enoate
CID 103728185
methyl (E)-2-methylhex-2-enoate
CID 5364816
methyl (E)-2-methyl-4-[4-(trifluoromethyl)anilino]but-2-enoate
CID 103233082
methyl 2-methyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]but-2-enoate
CID 106215289
methyl (Z)-2-methyl-4-(3-methylpentan-2-ylamino)but-2-enoate
CID 104577680
methyl (Z)-2-methyl-6-oxohept-2-enoate
CID 11480688

Frequently Asked Questions

What is the IUPAC name of methyl 4-(tert-butylamino)-2-methylbut-2-enoate?
The IUPAC name of methyl 4-(tert-butylamino)-2-methylbut-2-enoate (CID 103728179) is methyl 4-(tert-butylamino)-2-methylbut-2-enoate.
What is the SMILES notation for methyl 4-(tert-butylamino)-2-methylbut-2-enoate?
The canonical SMILES for methyl 4-(tert-butylamino)-2-methylbut-2-enoate is COC(=O)C(C)=CCNC(C)(C)C.
What is the InChIKey of methyl 4-(tert-butylamino)-2-methylbut-2-enoate?
The InChIKey is AESVIMSLMVPCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8(9(12)13-5)6-7-11-10(2,3)4/h6,11H,7H2,1-5H3.
What are the key properties of methyl 4-(tert-butylamino)-2-methylbut-2-enoate?
methyl 4-(tert-butylamino)-2-methylbut-2-enoate has a molecular weight of 185.27 g/mol, XLogP of 1.49, 3 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-methylbut-2-enoate is sourced from PubChem (CID 103728179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).