(3-methoxy-3-methylbutyl) 2-(prop-2-enylamino)acetate

C11H21NO3 — CID 106666090

IUPAC(3-methoxy-3-methylbutyl) 2-(prop-2-enylamino)acetate
SMILESC=CCNCC(=O)OCCC(C)(C)OC
InChIInChI=1S/C11H21NO3/c1-5-7-12-9-10(13)15-8-6-11(2,3)14-4/h5,12H,1,6-9H2,2-4H3
InChIKeyKROXIBDTDZLCOU-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.12
Rot. Bonds8

About (3-methoxy-3-methylbutyl) 2-(prop-2-enylamino)acetate

(3-methoxy-3-methylbutyl) 2-(prop-2-enylamino)acetate (PubChem CID 106666090) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is (3-methoxy-3-methylbutyl) 2-(prop-2-enylamino)acetate.

Molecular Properties

Compound Name(3-methoxy-3-methylbutyl) 2-(prop-2-enylamino)acetate
PubChem CID106666090
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name(3-methoxy-3-methylbutyl) 2-(prop-2-enylamino)acetate
SMILESC=CCNCC(=O)OCCC(C)(C)OC
InChIInChI=1S/C11H21NO3/c1-5-7-12-9-10(13)15-8-6-11(2,3)14-4/h5,12H,1,6-9H2,2-4H3
InChIKeyKROXIBDTDZLCOU-UHFFFAOYSA-N
XLogP1.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-2-Propen-1-ylglycine ethyl ester
CID 10975597
Tert-butyl 2-[(prop-2-en-1-yl)amino]acetate
CID 19959470
ethyl 2-[[(E)-but-2-enyl]amino]acetate
CID 13326685
Butyl 2-(prop-2-enylamino)acetate
CID 19076148
Butyl 2-(prop-2-enylamino)propanoate
CID 19076154
N-2-butenylglycine ethyl ester
CID 53851665
N-allyl-D-alanine t-butyl ester
CID 54332184
tert-Butyl allyl-L-alaninate
CID 54332185
(4-Tert-butylperoxy-2-methylbutan-2-yl) 2-oxo-2-(prop-2-enylamino)acetate
CID 54500706
Propyl 2-(prop-2-enylamino)acetate
CID 79276400
Pentyl 2-(prop-2-enylamino)acetate
CID 79277260
2-(Dimethylamino)ethyl 2-(prop-2-enylamino)acetate
CID 88314752

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-3-methylbutyl) 2-(prop-2-enylamino)acetate?
The IUPAC name of (3-methoxy-3-methylbutyl) 2-(prop-2-enylamino)acetate (CID 106666090) is (3-methoxy-3-methylbutyl) 2-(prop-2-enylamino)acetate.
What is the SMILES notation for (3-methoxy-3-methylbutyl) 2-(prop-2-enylamino)acetate?
The canonical SMILES for (3-methoxy-3-methylbutyl) 2-(prop-2-enylamino)acetate is C=CCNCC(=O)OCCC(C)(C)OC.
What is the InChIKey of (3-methoxy-3-methylbutyl) 2-(prop-2-enylamino)acetate?
The InChIKey is KROXIBDTDZLCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-5-7-12-9-10(13)15-8-6-11(2,3)14-4/h5,12H,1,6-9H2,2-4H3.
What are the key properties of (3-methoxy-3-methylbutyl) 2-(prop-2-enylamino)acetate?
(3-methoxy-3-methylbutyl) 2-(prop-2-enylamino)acetate has a molecular weight of 215.29 g/mol, XLogP of 1.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-3-methylbutyl) 2-(prop-2-enylamino)acetate is sourced from PubChem (CID 106666090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).