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

C18H31NO6 — CID 87991415

IUPAC2-acetyloxyethyl 2-methylprop-2-enoate;2-(tert-butylamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(C)(C)C.C=C(C)C(=O)OCCOC(C)=O
InChIInChI=1S/C10H19NO2.C8H12O4/c1-8(2)9(12)13-7-6-11-10(3,4)5;1-6(2)8(10)12-5-4-11-7(3)9/h11H,1,6-7H2,2-5H3;1,4-5H2,2-3H3
InChIKeyWMTYZAFPDUEVDS-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.16
Rot. Bonds8

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

2-acetyloxyethyl 2-methylprop-2-enoate;2-(tert-butylamino)ethyl 2-methylprop-2-enoate (PubChem CID 87991415) has the molecular formula C18H31NO6 and a molecular weight of 357.45 g/mol. Its IUPAC name is 2-acetyloxyethyl 2-methylprop-2-enoate;2-(tert-butylamino)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-acetyloxyethyl 2-methylprop-2-enoate;2-(tert-butylamino)ethyl 2-methylprop-2-enoate
PubChem CID87991415
Molecular FormulaC18H31NO6
Molecular Weight357.45 g/mol
Exact Mass357.22
IUPAC Name2-acetyloxyethyl 2-methylprop-2-enoate;2-(tert-butylamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(C)(C)C.C=C(C)C(=O)OCCOC(C)=O
InChIInChI=1S/C10H19NO2.C8H12O4/c1-8(2)9(12)13-7-6-11-10(3,4)5;1-6(2)8(10)12-5-4-11-7(3)9/h11H,1,6-7H2,2-5H3;1,4-5H2,2-3H3
InChIKeyWMTYZAFPDUEVDS-UHFFFAOYSA-N
XLogP2.16
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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2-(Butylamino)ethyl 2-methylprop-2-enoate
CID 15774820
2-(Tert-butylamino)ethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
CID 17873151
Prop-2-enoic acid--2-(tert-butylamino)ethyl 2-methylprop-2-enoate (1/1)
CID 44150396
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CID 90020
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CID 169030
2-(tert-Butylamino)ethyl 2-methylprop-2-enoate--2-methylpropyl 2-methylprop-2-enoate (1/1)
CID 170263
2-(Tert-butylamino)ethyl 2-methylprop-2-enoate;butyl prop-2-enoate;2-hydroxyethyl prop-2-enoate;methyl 2-methylprop-2-enoate
CID 6453517
2-(Tert-butylamino)ethyl 2-methylprop-2-enoate;butyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 170852495

Frequently Asked Questions

What is the IUPAC name of 2-acetyloxyethyl 2-methylprop-2-enoate;2-(tert-butylamino)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-acetyloxyethyl 2-methylprop-2-enoate;2-(tert-butylamino)ethyl 2-methylprop-2-enoate (CID 87991415) is 2-acetyloxyethyl 2-methylprop-2-enoate;2-(tert-butylamino)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-acetyloxyethyl 2-methylprop-2-enoate;2-(tert-butylamino)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-acetyloxyethyl 2-methylprop-2-enoate;2-(tert-butylamino)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(C)(C)C.C=C(C)C(=O)OCCOC(C)=O.
What is the InChIKey of 2-acetyloxyethyl 2-methylprop-2-enoate;2-(tert-butylamino)ethyl 2-methylprop-2-enoate?
The InChIKey is WMTYZAFPDUEVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.C8H12O4/c1-8(2)9(12)13-7-6-11-10(3,4)5;1-6(2)8(10)12-5-4-11-7(3)9/h11H,1,6-7H2,2-5H3;1,4-5H2,2-3H3.
What are the key properties of 2-acetyloxyethyl 2-methylprop-2-enoate;2-(tert-butylamino)ethyl 2-methylprop-2-enoate?
2-acetyloxyethyl 2-methylprop-2-enoate;2-(tert-butylamino)ethyl 2-methylprop-2-enoate has a molecular weight of 357.45 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyloxyethyl 2-methylprop-2-enoate;2-(tert-butylamino)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 87991415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).