2-[2-(dimethylamino)ethyl-[(E)-3-phenylprop-2-enoyl]amino]acetic acid

C15H20N2O3 — CID 103802756

IUPAC2-[2-(dimethylamino)ethyl-[(E)-3-phenylprop-2-enoyl]amino]acetic acid
SMILESCN(C)CCN(CC(=O)O)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C15H20N2O3/c1-16(2)10-11-17(12-15(19)20)14(18)9-8-13-6-4-3-5-7-13/h3-9H,10-12H2,1-2H3,(H,19,20)/b9-8+
InChIKeyMQLYFZAOOBZENF-CMDGGOBGSA-N
MW276.34 g/mol
LogP1.17
Rot. Bonds7

About 2-[2-(dimethylamino)ethyl-[(E)-3-phenylprop-2-enoyl]amino]acetic acid

2-[2-(dimethylamino)ethyl-[(E)-3-phenylprop-2-enoyl]amino]acetic acid (PubChem CID 103802756) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-[(E)-3-phenylprop-2-enoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-[(E)-3-phenylprop-2-enoyl]amino]acetic acid
PubChem CID103802756
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[2-(dimethylamino)ethyl-[(E)-3-phenylprop-2-enoyl]amino]acetic acid
SMILESCN(C)CCN(CC(=O)O)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C15H20N2O3/c1-16(2)10-11-17(12-15(19)20)14(18)9-8-13-6-4-3-5-7-13/h3-9H,10-12H2,1-2H3,(H,19,20)/b9-8+
InChIKeyMQLYFZAOOBZENF-CMDGGOBGSA-N
XLogP1.17
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(dimethylamino)propyl-[(E)-3-phenylprop-2-enoyl]amino]propanoic acid
CID 82325965
(E)-N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-enamide
CID 60559458
(E)-N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-3-phenylprop-2-enamide
CID 52726416
2-[2-(dimethylamino)ethyl-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]acetic acid
CID 103802863
2-[2-(dimethylamino)ethyl-[(E)-3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]acetic acid
CID 103802830
2-[[(E)-3-(3-methylphenyl)prop-2-enoyl]-propylamino]acetic acid
CID 61012488
2-[ethyl-[3-(4-hydroxyphenyl)prop-2-enoyl]amino]acetic acid
CID 76865238
ethyl 2-[[(E)-3-phenylprop-2-enoyl]-propylamino]acetate
CID 61008015
2-[carboxymethyl-[3-(4-hydroxyphenyl)prop-2-enoyl]amino]acetic acid
CID 77003605
(Z)-N,N-dibenzyl-3-phenylprop-2-enamide
CID 11163228
2-[3-(7-chloro-1,3-benzodioxol-5-yl)prop-2-enoyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 126778617
(E)-N,N-bis(2-methylpropyl)-3-phenylprop-2-enamide
CID 732127

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-[(E)-3-phenylprop-2-enoyl]amino]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-[(E)-3-phenylprop-2-enoyl]amino]acetic acid (CID 103802756) is 2-[2-(dimethylamino)ethyl-[(E)-3-phenylprop-2-enoyl]amino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-[(E)-3-phenylprop-2-enoyl]amino]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-[(E)-3-phenylprop-2-enoyl]amino]acetic acid is CN(C)CCN(CC(=O)O)C(=O)/C=C/c1ccccc1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-[(E)-3-phenylprop-2-enoyl]amino]acetic acid?
The InChIKey is MQLYFZAOOBZENF-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-16(2)10-11-17(12-15(19)20)14(18)9-8-13-6-4-3-5-7-13/h3-9H,10-12H2,1-2H3,(H,19,20)/b9-8+.
What are the key properties of 2-[2-(dimethylamino)ethyl-[(E)-3-phenylprop-2-enoyl]amino]acetic acid?
2-[2-(dimethylamino)ethyl-[(E)-3-phenylprop-2-enoyl]amino]acetic acid has a molecular weight of 276.34 g/mol, XLogP of 1.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-[(E)-3-phenylprop-2-enoyl]amino]acetic acid is sourced from PubChem (CID 103802756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).