2-[[4-(dimethylamino)benzoyl]-prop-2-enylamino]acetic acid

C14H18N2O3 — CID 79264539

IUPAC2-[[4-(dimethylamino)benzoyl]-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C14H18N2O3/c1-4-9-16(10-13(17)18)14(19)11-5-7-12(8-6-11)15(2)3/h4-8H,1,9-10H2,2-3H3,(H,17,18)
InChIKeyVLYGGVNRLBYWLS-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.47
Rot. Bonds6

About 2-[[4-(dimethylamino)benzoyl]-prop-2-enylamino]acetic acid

2-[[4-(dimethylamino)benzoyl]-prop-2-enylamino]acetic acid (PubChem CID 79264539) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[[4-(dimethylamino)benzoyl]-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[[4-(dimethylamino)benzoyl]-prop-2-enylamino]acetic acid
PubChem CID79264539
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-[[4-(dimethylamino)benzoyl]-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C14H18N2O3/c1-4-9-16(10-13(17)18)14(19)11-5-7-12(8-6-11)15(2)3/h4-8H,1,9-10H2,2-3H3,(H,17,18)
InChIKeyVLYGGVNRLBYWLS-UHFFFAOYSA-N
XLogP1.47
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[benzoyl(prop-2-enyl)amino]acetic acid
CID 67991979
2-[[4-(dimethylamino)phenyl]carbamoyl-prop-2-enylamino]acetic acid
CID 79277046
2-[prop-2-enyl-[4-(trifluoromethyl)benzoyl]amino]acetic acid
CID 79264072
2-[(4-bromo-3-chlorobenzoyl)-prop-2-enylamino]acetic acid
CID 81290807
2-[(3-bromobenzoyl)-prop-2-enylamino]acetic acid
CID 79263284
2-[(4-ethoxy-3-methoxybenzoyl)-prop-2-enylamino]acetic acid
CID 79264534
4-acetyl-N,N-bis(prop-2-enyl)benzamide
CID 67089080
2-[(3-propan-2-yloxybenzoyl)-prop-2-enylamino]acetic acid
CID 79264054
2-[(1-methylpyrazole-4-carbonyl)-prop-2-enylamino]acetic acid
CID 79264280
3-[4-(dimethylamino)-N-prop-2-enylanilino]propanoic acid
CID 82317597
4-[methyl(phenyl)sulfamoyl]-N,N-bis(prop-2-enyl)benzamide
CID 78784352
2-[[3-(dimethylamino)benzoyl]-propylamino]acetic acid
CID 61012479

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dimethylamino)benzoyl]-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[[4-(dimethylamino)benzoyl]-prop-2-enylamino]acetic acid (CID 79264539) is 2-[[4-(dimethylamino)benzoyl]-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[[4-(dimethylamino)benzoyl]-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[[4-(dimethylamino)benzoyl]-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)C(=O)c1ccc(N(C)C)cc1.
What is the InChIKey of 2-[[4-(dimethylamino)benzoyl]-prop-2-enylamino]acetic acid?
The InChIKey is VLYGGVNRLBYWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-4-9-16(10-13(17)18)14(19)11-5-7-12(8-6-11)15(2)3/h4-8H,1,9-10H2,2-3H3,(H,17,18).
What are the key properties of 2-[[4-(dimethylamino)benzoyl]-prop-2-enylamino]acetic acid?
2-[[4-(dimethylamino)benzoyl]-prop-2-enylamino]acetic acid has a molecular weight of 262.31 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dimethylamino)benzoyl]-prop-2-enylamino]acetic acid is sourced from PubChem (CID 79264539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).