tert-butyl 2-(but-3-enoylamino)acetate

C10H17NO3 — CID 13110976

IUPACtert-butyl 2-(but-3-enoylamino)acetate
SMILESC=CCC(=O)NCC(=O)OC(C)(C)C
InChIInChI=1S/C10H17NO3/c1-5-6-8(12)11-7-9(13)14-10(2,3)4/h5H,1,6-7H2,2-4H3,(H,11,12)
InChIKeyRUNABBCQHKOROY-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.02
Rot. Bonds4

About tert-butyl 2-(but-3-enoylamino)acetate

tert-butyl 2-(but-3-enoylamino)acetate (PubChem CID 13110976) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is tert-butyl 2-(but-3-enoylamino)acetate.

Molecular Properties

Compound Nametert-butyl 2-(but-3-enoylamino)acetate
PubChem CID13110976
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Nametert-butyl 2-(but-3-enoylamino)acetate
SMILESC=CCC(=O)NCC(=O)OC(C)(C)C
InChIInChI=1S/C10H17NO3/c1-5-6-8(12)11-7-9(13)14-10(2,3)4/h5H,1,6-7H2,2-4H3,(H,11,12)
InChIKeyRUNABBCQHKOROY-UHFFFAOYSA-N
XLogP1.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-[[2-(prop-2-enoxycarbonylamino)acetyl]amino]acetate
CID 11097680
tert-butyl 2-[(2-aminoacetyl)amino]acetate
CID 15403805
tert-butyl 2-(3-methoxypropanoylamino)acetate
CID 173312753
tert-butyl 2-(pent-4-enylamino)acetate
CID 86171439
3-(but-3-enoylamino)-2,2-dimethylpropanoic acid
CID 115427141
tert-butyl 2-(12-methoxydodecanoylamino)acetate
CID 15432302
tert-butyl 2-formamidoacetate
CID 11469223
(2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pent-4-enoic acid
CID 87606931
tert-butyl 4-oxo-4-(2-prop-2-enoxypropylamino)butanoate
CID 114264028
tert-butyl 2-(methylamino)acetate;ethane
CID 143004820
tert-butyl 2-(methylamino)acetate;hydrochloride
CID 11252350
tert-butyl 5-(ethylamino)-5-oxopentanoate
CID 145414661

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(but-3-enoylamino)acetate?
The IUPAC name of tert-butyl 2-(but-3-enoylamino)acetate (CID 13110976) is tert-butyl 2-(but-3-enoylamino)acetate.
What is the SMILES notation for tert-butyl 2-(but-3-enoylamino)acetate?
The canonical SMILES for tert-butyl 2-(but-3-enoylamino)acetate is C=CCC(=O)NCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(but-3-enoylamino)acetate?
The InChIKey is RUNABBCQHKOROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-5-6-8(12)11-7-9(13)14-10(2,3)4/h5H,1,6-7H2,2-4H3,(H,11,12).
What are the key properties of tert-butyl 2-(but-3-enoylamino)acetate?
tert-butyl 2-(but-3-enoylamino)acetate has a molecular weight of 199.25 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(but-3-enoylamino)acetate is sourced from PubChem (CID 13110976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).