2-aminoethyl 2-methylprop-2-enoate;prop-2-enoic acid

C9H15NO4 — CID 155355138

IUPAC2-aminoethyl 2-methylprop-2-enoate;prop-2-enoic acid
SMILESC=C(C)C(=O)OCCN.C=CC(=O)O
InChIInChI=1S/C6H11NO2.C3H4O2/c1-5(2)6(8)9-4-3-7;1-2-3(4)5/h1,3-4,7H2,2H3;2H,1H2,(H,4,5)
InChIKeyXGZDAGGOXCSMHJ-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.32
Rot. Bonds4

About 2-aminoethyl 2-methylprop-2-enoate;prop-2-enoic acid

2-aminoethyl 2-methylprop-2-enoate;prop-2-enoic acid (PubChem CID 155355138) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-aminoethyl 2-methylprop-2-enoate;prop-2-enoic acid.

Molecular Properties

Compound Name2-aminoethyl 2-methylprop-2-enoate;prop-2-enoic acid
PubChem CID155355138
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2-aminoethyl 2-methylprop-2-enoate;prop-2-enoic acid
SMILESC=C(C)C(=O)OCCN.C=CC(=O)O
InChIInChI=1S/C6H11NO2.C3H4O2/c1-5(2)6(8)9-4-3-7;1-2-3(4)5/h1,3-4,7H2,2H3;2H,1H2,(H,4,5)
InChIKeyXGZDAGGOXCSMHJ-UHFFFAOYSA-N
XLogP0.32
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-aminoethyl 2-methylprop-2-enoate;methane
CID 158487497
2-aminoethyl 2-methylprop-2-enoate;phosphoric acid
CID 86256248
3-dimethoxysilylpropyl 2-methylprop-2-enoate;prop-2-enoic acid
CID 158298402
2-aminoethyl 2-methylprop-2-enoate;methanesulfonic acid
CID 135283326
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;dodecakis(prop-1-ene)
CID 173326779
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;hexakis(prop-1-ene)
CID 173226000
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;nonakis(prop-1-ene)
CID 173068986
3-hydroxypropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;prop-2-enoic acid
CID 161474315
2-(2-aminoethoxy)ethyl 2-methylprop-2-enoate
CID 20573934
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethyl prop-2-enoate
CID 160886159
4-O-[2-(2-methylprop-2-enoyloxy)ethyl] 1-O-(2-prop-2-enoyloxyethyl) (E)-but-2-enedioate
CID 178063715
bis(2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate);bis(2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate)
CID 160660181

Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl 2-methylprop-2-enoate;prop-2-enoic acid?
The IUPAC name of 2-aminoethyl 2-methylprop-2-enoate;prop-2-enoic acid (CID 155355138) is 2-aminoethyl 2-methylprop-2-enoate;prop-2-enoic acid.
What is the SMILES notation for 2-aminoethyl 2-methylprop-2-enoate;prop-2-enoic acid?
The canonical SMILES for 2-aminoethyl 2-methylprop-2-enoate;prop-2-enoic acid is C=C(C)C(=O)OCCN.C=CC(=O)O.
What is the InChIKey of 2-aminoethyl 2-methylprop-2-enoate;prop-2-enoic acid?
The InChIKey is XGZDAGGOXCSMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.C3H4O2/c1-5(2)6(8)9-4-3-7;1-2-3(4)5/h1,3-4,7H2,2H3;2H,1H2,(H,4,5).
What are the key properties of 2-aminoethyl 2-methylprop-2-enoate;prop-2-enoic acid?
2-aminoethyl 2-methylprop-2-enoate;prop-2-enoic acid has a molecular weight of 201.22 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl 2-methylprop-2-enoate;prop-2-enoic acid is sourced from PubChem (CID 155355138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).