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

C11H19NO3 — CID 19368971

IUPACtert-butyl 2-(3-methylbut-2-enoylamino)acetate
SMILESCC(C)=CC(=O)NCC(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO3/c1-8(2)6-9(13)12-7-10(14)15-11(3,4)5/h6H,7H2,1-5H3,(H,12,13)
InChIKeyHNBMEBRKYPRWDK-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.41
Rot. Bonds3

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

tert-butyl 2-(3-methylbut-2-enoylamino)acetate (PubChem CID 19368971) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is tert-butyl 2-(3-methylbut-2-enoylamino)acetate.

Molecular Properties

Compound Nametert-butyl 2-(3-methylbut-2-enoylamino)acetate
PubChem CID19368971
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nametert-butyl 2-(3-methylbut-2-enoylamino)acetate
SMILESCC(C)=CC(=O)NCC(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO3/c1-8(2)6-9(13)12-7-10(14)15-11(3,4)5/h6H,7H2,1-5H3,(H,12,13)
InChIKeyHNBMEBRKYPRWDK-UHFFFAOYSA-N
XLogP1.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.41
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-methylbut-2-enoylamino)acetate?
The IUPAC name of tert-butyl 2-(3-methylbut-2-enoylamino)acetate (CID 19368971) is tert-butyl 2-(3-methylbut-2-enoylamino)acetate.
What is the SMILES notation for tert-butyl 2-(3-methylbut-2-enoylamino)acetate?
The canonical SMILES for tert-butyl 2-(3-methylbut-2-enoylamino)acetate is CC(C)=CC(=O)NCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(3-methylbut-2-enoylamino)acetate?
The InChIKey is HNBMEBRKYPRWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8(2)6-9(13)12-7-10(14)15-11(3,4)5/h6H,7H2,1-5H3,(H,12,13).
What are the key properties of tert-butyl 2-(3-methylbut-2-enoylamino)acetate?
tert-butyl 2-(3-methylbut-2-enoylamino)acetate has a molecular weight of 213.28 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-methylbut-2-enoylamino)acetate is sourced from PubChem (CID 19368971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).