2-(tert-butylamino)ethyl 2-methylprop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate

C17H31NO5 — CID 146520905

IUPAC2-(tert-butylamino)ethyl 2-methylprop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)O.C=C(C)C(=O)OCCNC(C)(C)C
InChIInChI=1S/C10H19NO2.C7H12O3/c1-8(2)9(12)13-7-6-11-10(3,4)5;1-5(2)7(9)10-4-6(3)8/h11H,1,6-7H2,2-5H3;6,8H,1,4H2,2-3H3
InChIKeyRFLXBHNXDQJIJY-UHFFFAOYSA-N
MW329.44 g/mol
LogP1.98
Rot. Bonds7

About 2-(tert-butylamino)ethyl 2-methylprop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate

2-(tert-butylamino)ethyl 2-methylprop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate (PubChem CID 146520905) has the molecular formula C17H31NO5 and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-(tert-butylamino)ethyl 2-methylprop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(tert-butylamino)ethyl 2-methylprop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate
PubChem CID146520905
Molecular FormulaC17H31NO5
Molecular Weight329.44 g/mol
Exact Mass329.22
IUPAC Name2-(tert-butylamino)ethyl 2-methylprop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)O.C=C(C)C(=O)OCCNC(C)(C)C
InChIInChI=1S/C10H19NO2.C7H12O3/c1-8(2)9(12)13-7-6-11-10(3,4)5;1-5(2)7(9)10-4-6(3)8/h11H,1,6-7H2,2-5H3;6,8H,1,4H2,2-3H3
InChIKeyRFLXBHNXDQJIJY-UHFFFAOYSA-N
XLogP1.98
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-hydroxypropyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 87196210
N,N-dimethylmethanamine;2-hydroxypropyl 2-methylprop-2-enoate;hydrochloride
CID 87121753
2-(dimethylamino)ethyl 2-methylprop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate
CID 159218034
2-hydroxyethyl 2-methylprop-2-enoate;hydroxymethyl 2-methylprop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate;methane
CID 158577416
butane-1,4-diol;2-hydroxypropyl 2-methylprop-2-enoate
CID 87278867
2-hydroxypropyl 2-methylprop-2-enoate;methyl prop-2-enoate
CID 174853602
2-hydroxyethyl 2-methylprop-2-enoate;2-hydroxyethyl prop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate;2-hydroxypropyl prop-2-enoate
CID 159540810
2-(tert-butylamino)ethyl 2-methylprop-2-enoate;6-ethenoxy-6-oxohexanoic acid
CID 87249906
[2-amino-2-(tert-butylamino)ethyl] 2-methylprop-2-enoate
CID 141211213
2-(2,2-dimethylpropanoylamino)ethyl 2-methylprop-2-enoate
CID 90228448
2-(2-methyltridecan-2-ylamino)ethyl 2-methylprop-2-enoate
CID 89314536
[3-hydroxy-4-(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 19428981

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)ethyl 2-methylprop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate?
The IUPAC name of 2-(tert-butylamino)ethyl 2-methylprop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate (CID 146520905) is 2-(tert-butylamino)ethyl 2-methylprop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(tert-butylamino)ethyl 2-methylprop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(tert-butylamino)ethyl 2-methylprop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC(C)O.C=C(C)C(=O)OCCNC(C)(C)C.
What is the InChIKey of 2-(tert-butylamino)ethyl 2-methylprop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate?
The InChIKey is RFLXBHNXDQJIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.C7H12O3/c1-8(2)9(12)13-7-6-11-10(3,4)5;1-5(2)7(9)10-4-6(3)8/h11H,1,6-7H2,2-5H3;6,8H,1,4H2,2-3H3.
What are the key properties of 2-(tert-butylamino)ethyl 2-methylprop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate?
2-(tert-butylamino)ethyl 2-methylprop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate has a molecular weight of 329.44 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)ethyl 2-methylprop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate is sourced from PubChem (CID 146520905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).