1-(dimethylamino)ethyl prop-2-enoate;2-(methylamino)acetic acid

C10H20N2O4 — CID 174330894

IUPAC1-(dimethylamino)ethyl prop-2-enoate;2-(methylamino)acetic acid
SMILESC=CC(=O)OC(C)N(C)C.CNCC(=O)O
InChIInChI=1S/C7H13NO2.C3H7NO2/c1-5-7(9)10-6(2)8(3)4;1-4-2-3(5)6/h5-6H,1H2,2-4H3;4H,2H2,1H3,(H,5,6)
InChIKeyQPSWXCWPOYNYJN-UHFFFAOYSA-N
MW232.28 g/mol
LogP-0.09
Rot. Bonds5

About 1-(dimethylamino)ethyl prop-2-enoate;2-(methylamino)acetic acid

1-(dimethylamino)ethyl prop-2-enoate;2-(methylamino)acetic acid (PubChem CID 174330894) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-(dimethylamino)ethyl prop-2-enoate;2-(methylamino)acetic acid.

Molecular Properties

Compound Name1-(dimethylamino)ethyl prop-2-enoate;2-(methylamino)acetic acid
PubChem CID174330894
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name1-(dimethylamino)ethyl prop-2-enoate;2-(methylamino)acetic acid
SMILESC=CC(=O)OC(C)N(C)C.CNCC(=O)O
InChIInChI=1S/C7H13NO2.C3H7NO2/c1-5-7(9)10-6(2)8(3)4;1-4-2-3(5)6/h5-6H,1H2,2-4H3;4H,2H2,1H3,(H,5,6)
InChIKeyQPSWXCWPOYNYJN-UHFFFAOYSA-N
XLogP-0.09
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-aminopropanamide;1-(dimethylamino)ethyl prop-2-enoate
CID 174598026
1-(dimethylamino)ethyl prop-2-enoate;ethyl hydrogen sulfate
CID 174549517
[1-(dimethylamino)-2-ethoxy-2-oxoethyl] prop-2-enoate
CID 174992318
1-(dimethylamino)prop-2-enyl prop-2-enoate
CID 87262615
N,N-dimethylmethanamine;1-iodoethyl prop-2-enoate
CID 87224963
1-aminopropyl prop-2-enoate;2-(dimethylamino)propanoic acid
CID 174713599
1-(dimethylamino)propyl prop-2-enoate;hydrofluoride
CID 173036316
4-prop-2-enoyloxypentanoic acid
CID 87568780
tripotassium;hydride;2-(methylamino)acetic acid
CID 174232708
1-dimethylarsanylethyl prop-2-enoate
CID 87979584
1-(1-prop-2-enoyloxyethoxy)ethyl prop-2-enoate
CID 18008699
ethane;2-(methylamino)acetic acid;methyl formate
CID 144537769

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)ethyl prop-2-enoate;2-(methylamino)acetic acid?
The IUPAC name of 1-(dimethylamino)ethyl prop-2-enoate;2-(methylamino)acetic acid (CID 174330894) is 1-(dimethylamino)ethyl prop-2-enoate;2-(methylamino)acetic acid.
What is the SMILES notation for 1-(dimethylamino)ethyl prop-2-enoate;2-(methylamino)acetic acid?
The canonical SMILES for 1-(dimethylamino)ethyl prop-2-enoate;2-(methylamino)acetic acid is C=CC(=O)OC(C)N(C)C.CNCC(=O)O.
What is the InChIKey of 1-(dimethylamino)ethyl prop-2-enoate;2-(methylamino)acetic acid?
The InChIKey is QPSWXCWPOYNYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.C3H7NO2/c1-5-7(9)10-6(2)8(3)4;1-4-2-3(5)6/h5-6H,1H2,2-4H3;4H,2H2,1H3,(H,5,6).
What are the key properties of 1-(dimethylamino)ethyl prop-2-enoate;2-(methylamino)acetic acid?
1-(dimethylamino)ethyl prop-2-enoate;2-(methylamino)acetic acid has a molecular weight of 232.28 g/mol, XLogP of -0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)ethyl prop-2-enoate;2-(methylamino)acetic acid is sourced from PubChem (CID 174330894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).