[2-amino-2-(tert-butylamino)ethyl] 2-methylprop-2-enoate

C10H20N2O2 — CID 141211213

IUPAC[2-amino-2-(tert-butylamino)ethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(N)NC(C)(C)C
InChIInChI=1S/C10H20N2O2/c1-7(2)9(13)14-6-8(11)12-10(3,4)5/h8,12H,1,6,11H2,2-5H3
InChIKeyFHZSZPPXLNJNKL-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.78
Rot. Bonds4

About [2-amino-2-(tert-butylamino)ethyl] 2-methylprop-2-enoate

[2-amino-2-(tert-butylamino)ethyl] 2-methylprop-2-enoate (PubChem CID 141211213) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is [2-amino-2-(tert-butylamino)ethyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-amino-2-(tert-butylamino)ethyl] 2-methylprop-2-enoate
PubChem CID141211213
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name[2-amino-2-(tert-butylamino)ethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(N)NC(C)(C)C
InChIInChI=1S/C10H20N2O2/c1-7(2)9(13)14-6-8(11)12-10(3,4)5/h8,12H,1,6,11H2,2-5H3
InChIKeyFHZSZPPXLNJNKL-UHFFFAOYSA-N
XLogP0.78
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[2-(tert-butylamino)-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate
CID 22750442
[3-methoxy-2-(methoxymethyl)propyl] 2-methylprop-2-enoate
CID 58701380
(2S)-2-amino-3-(2-methylprop-2-enoyloxy)propanoic acid
CID 24812035
2,3-dihydroxybutyl 2-methylprop-2-enoate
CID 22149440
2-(tert-butylamino)ethyl 2-methylprop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate
CID 146520905
1-(tert-butylamino)propyl 2-methylprop-2-enoate
CID 18325515
2,3-dimethylbutyl 2-methylprop-2-enoate
CID 18361655
(2-hydroxy-3-methoxycarbonyloxypropyl) 2-methylprop-2-enoate
CID 139917348
[(2S)-2-hydroxy-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate
CID 88713969
2-(2-methylprop-2-enoyloxymethyl)butanedioic acid
CID 19370064
[3-hydroxy-2-(methylamino)propyl] 2-methylprop-2-enoate
CID 147479028
[2-(diethylamino)-2-hydroxyethyl] 2-methylprop-2-enoate
CID 57254396

Frequently Asked Questions

What is the IUPAC name of [2-amino-2-(tert-butylamino)ethyl] 2-methylprop-2-enoate?
The IUPAC name of [2-amino-2-(tert-butylamino)ethyl] 2-methylprop-2-enoate (CID 141211213) is [2-amino-2-(tert-butylamino)ethyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-amino-2-(tert-butylamino)ethyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-amino-2-(tert-butylamino)ethyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(N)NC(C)(C)C.
What is the InChIKey of [2-amino-2-(tert-butylamino)ethyl] 2-methylprop-2-enoate?
The InChIKey is FHZSZPPXLNJNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-7(2)9(13)14-6-8(11)12-10(3,4)5/h8,12H,1,6,11H2,2-5H3.
What are the key properties of [2-amino-2-(tert-butylamino)ethyl] 2-methylprop-2-enoate?
[2-amino-2-(tert-butylamino)ethyl] 2-methylprop-2-enoate has a molecular weight of 200.28 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-2-(tert-butylamino)ethyl] 2-methylprop-2-enoate is sourced from PubChem (CID 141211213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).