methyl 2-ethyl-4-[(2-methylcyclopropyl)methylamino]but-2-enoate

C12H21NO2 — CID 103265291

IUPACmethyl 2-ethyl-4-[(2-methylcyclopropyl)methylamino]but-2-enoate
SMILESCCC(=CCNCC1CC1C)C(=O)OC
InChIInChI=1S/C12H21NO2/c1-4-10(12(14)15-3)5-6-13-8-11-7-9(11)2/h5,9,11,13H,4,6-8H2,1-3H3
InChIKeyLFPFEGPHUOFPIB-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.74
Rot. Bonds6

About methyl 2-ethyl-4-[(2-methylcyclopropyl)methylamino]but-2-enoate

methyl 2-ethyl-4-[(2-methylcyclopropyl)methylamino]but-2-enoate (PubChem CID 103265291) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is methyl 2-ethyl-4-[(2-methylcyclopropyl)methylamino]but-2-enoate.

Molecular Properties

Compound Namemethyl 2-ethyl-4-[(2-methylcyclopropyl)methylamino]but-2-enoate
PubChem CID103265291
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Namemethyl 2-ethyl-4-[(2-methylcyclopropyl)methylamino]but-2-enoate
SMILESCCC(=CCNCC1CC1C)C(=O)OC
InChIInChI=1S/C12H21NO2/c1-4-10(12(14)15-3)5-6-13-8-11-7-9(11)2/h5,9,11,13H,4,6-8H2,1-3H3
InChIKeyLFPFEGPHUOFPIB-UHFFFAOYSA-N
XLogP1.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

methyl 4-(cyclopropylmethylamino)-2-ethylbut-2-enoate
CID 103231152
methyl 2-ethyl-4-[(2-hydroxycyclopentyl)methylamino]but-2-enoate
CID 103255169
methyl 4-[(2-amino-2-oxoethyl)amino]-2-ethylbut-2-enoate
CID 103235215
methyl 2-ethyl-4-[(1-hydroxycyclobutyl)methylamino]but-2-enoate
CID 103268373
methyl 4-[(4-amino-4-oxobutyl)amino]-2-ethylbut-2-enoate
CID 103239746
methyl 2-ethyl-4-(2-pyrrolidin-1-ylethylamino)but-2-enoate
CID 103248832
methyl 4-(tert-butylamino)-2-ethylbut-2-enoate
CID 103235173
methyl 2-ethyl-4-(4-methylsulfanylbutylamino)but-2-enoate
CID 103264046
methyl 2-ethyl-4-(3-methylsulfinylpropylamino)but-2-enoate
CID 103264976
methyl 2-ethyl-4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]but-2-enoate
CID 103239189
methyl 2-ethyl-4-(2,2,3,3-tetrafluoropropylamino)but-2-enoate
CID 106294424
methyl (Z)-4-[(4-ethoxy-4-oxobutyl)amino]-2-ethylbut-2-enoate
CID 103252912

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-4-[(2-methylcyclopropyl)methylamino]but-2-enoate?
The IUPAC name of methyl 2-ethyl-4-[(2-methylcyclopropyl)methylamino]but-2-enoate (CID 103265291) is methyl 2-ethyl-4-[(2-methylcyclopropyl)methylamino]but-2-enoate.
What is the SMILES notation for methyl 2-ethyl-4-[(2-methylcyclopropyl)methylamino]but-2-enoate?
The canonical SMILES for methyl 2-ethyl-4-[(2-methylcyclopropyl)methylamino]but-2-enoate is CCC(=CCNCC1CC1C)C(=O)OC.
What is the InChIKey of methyl 2-ethyl-4-[(2-methylcyclopropyl)methylamino]but-2-enoate?
The InChIKey is LFPFEGPHUOFPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-4-10(12(14)15-3)5-6-13-8-11-7-9(11)2/h5,9,11,13H,4,6-8H2,1-3H3.
What are the key properties of methyl 2-ethyl-4-[(2-methylcyclopropyl)methylamino]but-2-enoate?
methyl 2-ethyl-4-[(2-methylcyclopropyl)methylamino]but-2-enoate has a molecular weight of 211.30 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-4-[(2-methylcyclopropyl)methylamino]but-2-enoate is sourced from PubChem (CID 103265291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).