methyl 2-[(2-methoxyethylamino)methyl]prop-2-enoate

C8H15NO3 — CID 122412961

IUPACmethyl 2-[(2-methoxyethylamino)methyl]prop-2-enoate
SMILESC=C(CNCCOC)C(=O)OC
InChIInChI=1S/C8H15NO3/c1-7(8(10)12-3)6-9-4-5-11-2/h9H,1,4-6H2,2-3H3
InChIKeyNMOUUDHJBZBTGO-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.05
Rot. Bonds6

About methyl 2-[(2-methoxyethylamino)methyl]prop-2-enoate

methyl 2-[(2-methoxyethylamino)methyl]prop-2-enoate (PubChem CID 122412961) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is methyl 2-[(2-methoxyethylamino)methyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[(2-methoxyethylamino)methyl]prop-2-enoate
PubChem CID122412961
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namemethyl 2-[(2-methoxyethylamino)methyl]prop-2-enoate
SMILESC=C(CNCCOC)C(=O)OC
InChIInChI=1S/C8H15NO3/c1-7(8(10)12-3)6-9-4-5-11-2/h9H,1,4-6H2,2-3H3
InChIKeyNMOUUDHJBZBTGO-UHFFFAOYSA-N
XLogP-0.05
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1-(2-methoxyethylamino)-3-methylbut-3-en-2-one
CID 116591519
2-methoxyethyl 2-(2-methoxyethylamino)acetate
CID 79271319
N-hydroxy-2-(2-methoxyethylamino)acetamide
CID 79282707
2-[2-(2-methoxyethoxy)ethylamino]acetic acid
CID 58383949
1,2-dimethoxyethane;methyl 2-methylprop-2-enoate
CID 175106203
N-ethyl-2-(2-methoxyethylamino)acetamide
CID 28565523
methyl 7-methoxy-2-methylideneheptanoate
CID 20669689
2-(2-methoxyethoxy)ethyl 2-(2-methoxyethylamino)acetate
CID 104563269
hydron;methyl 2-methylidenebutanoate
CID 174760127
N-(2-methoxyethyl)-2-(2-propoxyethylamino)acetamide
CID 106452448
2-(2-methoxyethylamino)-N-(3-methoxypropyl)acetamide;hydrochloride
CID 119672351
N-[2-(2-methoxyethylamino)ethyl]-2-methylprop-2-enamide
CID 123448729

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methoxyethylamino)methyl]prop-2-enoate?
The IUPAC name of methyl 2-[(2-methoxyethylamino)methyl]prop-2-enoate (CID 122412961) is methyl 2-[(2-methoxyethylamino)methyl]prop-2-enoate.
What is the SMILES notation for methyl 2-[(2-methoxyethylamino)methyl]prop-2-enoate?
The canonical SMILES for methyl 2-[(2-methoxyethylamino)methyl]prop-2-enoate is C=C(CNCCOC)C(=O)OC.
What is the InChIKey of methyl 2-[(2-methoxyethylamino)methyl]prop-2-enoate?
The InChIKey is NMOUUDHJBZBTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-7(8(10)12-3)6-9-4-5-11-2/h9H,1,4-6H2,2-3H3.
What are the key properties of methyl 2-[(2-methoxyethylamino)methyl]prop-2-enoate?
methyl 2-[(2-methoxyethylamino)methyl]prop-2-enoate has a molecular weight of 173.21 g/mol, XLogP of -0.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methoxyethylamino)methyl]prop-2-enoate is sourced from PubChem (CID 122412961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).