tert-butyl 2-(pent-4-enylamino)acetate

C11H21NO2 — CID 86171439

IUPACtert-butyl 2-(pent-4-enylamino)acetate
SMILESC=CCCCNCC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO2/c1-5-6-7-8-12-9-10(13)14-11(2,3)4/h5,12H,1,6-9H2,2-4H3
InChIKeyNVHIGXFRWRDDGI-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.88
Rot. Bonds6

About tert-butyl 2-(pent-4-enylamino)acetate

tert-butyl 2-(pent-4-enylamino)acetate (PubChem CID 86171439) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is tert-butyl 2-(pent-4-enylamino)acetate.

Molecular Properties

Compound Nametert-butyl 2-(pent-4-enylamino)acetate
PubChem CID86171439
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nametert-butyl 2-(pent-4-enylamino)acetate
SMILESC=CCCCNCC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO2/c1-5-6-7-8-12-9-10(13)14-11(2,3)4/h5,12H,1,6-9H2,2-4H3
InChIKeyNVHIGXFRWRDDGI-UHFFFAOYSA-N
XLogP1.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2-(3-bromopropylamino)acetate
CID 87746649
tert-butyl 2-[(4-amino-4-oxobutyl)amino]acetate
CID 60864302
methyl 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate
CID 54383502
tert-butyl 2-(octylamino)acetate
CID 78913453
ethyl 2-(hex-5-enylamino)acetate
CID 10867857
tert-butyl 2-(4,4,4-trifluorobutylamino)acetate
CID 58330495
tert-butyl 2-[2-(methylamino)ethylamino]acetate
CID 59921864
tert-butyl 2-formamidoacetate
CID 11469223
tert-butyl 2-pent-4-enoxyacetate
CID 15072345
tert-butyl 2-(but-3-enoylamino)acetate
CID 13110976
tert-butyl 2-(3-methylbutylamino)acetate
CID 15481673
methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]acetate
CID 123437177

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(pent-4-enylamino)acetate?
The IUPAC name of tert-butyl 2-(pent-4-enylamino)acetate (CID 86171439) is tert-butyl 2-(pent-4-enylamino)acetate.
What is the SMILES notation for tert-butyl 2-(pent-4-enylamino)acetate?
The canonical SMILES for tert-butyl 2-(pent-4-enylamino)acetate is C=CCCCNCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(pent-4-enylamino)acetate?
The InChIKey is NVHIGXFRWRDDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-5-6-7-8-12-9-10(13)14-11(2,3)4/h5,12H,1,6-9H2,2-4H3.
What are the key properties of tert-butyl 2-(pent-4-enylamino)acetate?
tert-butyl 2-(pent-4-enylamino)acetate has a molecular weight of 199.29 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(pent-4-enylamino)acetate is sourced from PubChem (CID 86171439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).