tert-butyl (Z)-3-amino-4-(1-ethoxyethoxy)pent-2-enoate

C13H25NO4 — CID 12936927

IUPACtert-butyl (Z)-3-amino-4-(1-ethoxyethoxy)pent-2-enoate
SMILESCCOC(C)OC(C)/C(N)=C/C(=O)OC(C)(C)C
InChIInChI=1S/C13H25NO4/c1-7-16-10(3)17-9(2)11(14)8-12(15)18-13(4,5)6/h8-10H,7,14H2,1-6H3/b11-8-
InChIKeyJVBZWVVHNPPINY-FLIBITNWSA-N
MW259.35 g/mol
LogP1.96
Rot. Bonds6

About tert-butyl (Z)-3-amino-4-(1-ethoxyethoxy)pent-2-enoate

tert-butyl (Z)-3-amino-4-(1-ethoxyethoxy)pent-2-enoate (PubChem CID 12936927) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is tert-butyl (Z)-3-amino-4-(1-ethoxyethoxy)pent-2-enoate.

Molecular Properties

Compound Nametert-butyl (Z)-3-amino-4-(1-ethoxyethoxy)pent-2-enoate
PubChem CID12936927
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Nametert-butyl (Z)-3-amino-4-(1-ethoxyethoxy)pent-2-enoate
SMILESCCOC(C)OC(C)/C(N)=C/C(=O)OC(C)(C)C
InChIInChI=1S/C13H25NO4/c1-7-16-10(3)17-9(2)11(14)8-12(15)18-13(4,5)6/h8-10H,7,14H2,1-6H3/b11-8-
InChIKeyJVBZWVVHNPPINY-FLIBITNWSA-N
XLogP1.96
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(1-ethoxyethoxy)ethyl carbamate
CID 175609517
tert-butyl 3-aminohex-2-enoate
CID 86021174
ethyl (E)-3-amino-4-methylpent-2-enoate
CID 11579171
tert-butyl 2-amino-2-ethoxyacetate
CID 151650048
1-[1-[1-(1-ethoxyethoxy)ethoxy]ethoxy]ethyl prop-2-enoate
CID 174987831
tert-butyl carbamate;2,4-dimethylpentane
CID 177025582
2-amino-4-[(2-methylpropan-2-yl)oxy]-4-oxobut-2-enoic acid
CID 154028323
ethyl (Z)-5,5-diethoxy-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate
CID 171477844
carbonic acid;1,1-diethoxyethane
CID 87827362
tert-butyl (2R,4S)-2-[(2Z)-2-amino-1-(1-ethoxyethoxy)-2-hydroxyiminoethyl]-4-fluoropyrrolidine-1-carboxylate
CID 142672817
4-ethoxy-2,2-dimethylpentan-3-one
CID 64540696
tert-butyl 3,3-diethoxypropanoate
CID 13066056

Frequently Asked Questions

What is the IUPAC name of tert-butyl (Z)-3-amino-4-(1-ethoxyethoxy)pent-2-enoate?
The IUPAC name of tert-butyl (Z)-3-amino-4-(1-ethoxyethoxy)pent-2-enoate (CID 12936927) is tert-butyl (Z)-3-amino-4-(1-ethoxyethoxy)pent-2-enoate.
What is the SMILES notation for tert-butyl (Z)-3-amino-4-(1-ethoxyethoxy)pent-2-enoate?
The canonical SMILES for tert-butyl (Z)-3-amino-4-(1-ethoxyethoxy)pent-2-enoate is CCOC(C)OC(C)/C(N)=C/C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (Z)-3-amino-4-(1-ethoxyethoxy)pent-2-enoate?
The InChIKey is JVBZWVVHNPPINY-FLIBITNWSA-N. The full InChI is InChI=1S/C13H25NO4/c1-7-16-10(3)17-9(2)11(14)8-12(15)18-13(4,5)6/h8-10H,7,14H2,1-6H3/b11-8-.
What are the key properties of tert-butyl (Z)-3-amino-4-(1-ethoxyethoxy)pent-2-enoate?
tert-butyl (Z)-3-amino-4-(1-ethoxyethoxy)pent-2-enoate has a molecular weight of 259.35 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (Z)-3-amino-4-(1-ethoxyethoxy)pent-2-enoate is sourced from PubChem (CID 12936927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).