2-(2-methylprop-2-enoylamino)ethyl 2-methylprop-2-enoate

C10H15NO3 — CID 15312507

IUPAC2-(2-methylprop-2-enoylamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)NCCOC(=O)C(=C)C
InChIInChI=1S/C10H15NO3/c1-7(2)9(12)11-5-6-14-10(13)8(3)4/h1,3,5-6H2,2,4H3,(H,11,12)
InChIKeyQEPJZNUAPYIHOI-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.80
Rot. Bonds5

About 2-(2-methylprop-2-enoylamino)ethyl 2-methylprop-2-enoate

2-(2-methylprop-2-enoylamino)ethyl 2-methylprop-2-enoate (PubChem CID 15312507) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoylamino)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(2-methylprop-2-enoylamino)ethyl 2-methylprop-2-enoate
PubChem CID15312507
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name2-(2-methylprop-2-enoylamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)NCCOC(=O)C(=C)C
InChIInChI=1S/C10H15NO3/c1-7(2)9(12)11-5-6-14-10(13)8(3)4/h1,3,5-6H2,2,4H3,(H,11,12)
InChIKeyQEPJZNUAPYIHOI-UHFFFAOYSA-N
XLogP0.80
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(tert-Butylamino)ethyl methacrylate
CID 19601
2-(Butylamino)ethyl 2-methylprop-2-enoate
CID 15774820
N-acryloyloxyethylacrylamide
CID 15084870
2-Propenoic acid, 2-methyl-, 2-[(2-hydroxyethyl)amino]ethyl ester
CID 103933
2-(N,N,N-diethylmethylamino)ethyl methacrylate
CID 3016437
2-Propenoic acid, 2-methyl-, 2-(methylamino)ethyl ester
CID 10154110
3-Acetamidopropyl methacrylate
CID 15055173
2-(Isopropylamino)ethyl methacrylate
CID 18325548
2-(Ethylamino)ethyl 2-methylprop-2-enoate
CID 18325612
1-(2-Methylprop-2-enoylamino)ethyl 2-methylprop-2-enoate
CID 18755069
methacryloyl-DL-alanine methyl ester
CID 21806553
2-Ethylpropylaminoethyl methacrylate
CID 54264290

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enoylamino)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(2-methylprop-2-enoylamino)ethyl 2-methylprop-2-enoate (CID 15312507) is 2-(2-methylprop-2-enoylamino)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(2-methylprop-2-enoylamino)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(2-methylprop-2-enoylamino)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)NCCOC(=O)C(=C)C.
What is the InChIKey of 2-(2-methylprop-2-enoylamino)ethyl 2-methylprop-2-enoate?
The InChIKey is QEPJZNUAPYIHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-7(2)9(12)11-5-6-14-10(13)8(3)4/h1,3,5-6H2,2,4H3,(H,11,12).
What are the key properties of 2-(2-methylprop-2-enoylamino)ethyl 2-methylprop-2-enoate?
2-(2-methylprop-2-enoylamino)ethyl 2-methylprop-2-enoate has a molecular weight of 197.23 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoylamino)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 15312507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).