4-[[4-[(dimethylamino)methyl]benzoyl]amino]cyclopent-2-ene-1-carboxylic acid

C16H20N2O3 — CID 79192506

IUPAC4-[[4-[(dimethylamino)methyl]benzoyl]amino]cyclopent-2-ene-1-carboxylic acid
SMILESCN(C)Cc1ccc(C(=O)NC2C=CC(C(=O)O)C2)cc1
InChIInChI=1S/C16H20N2O3/c1-18(2)10-11-3-5-12(6-4-11)15(19)17-14-8-7-13(9-14)16(20)21/h3-8,13-14H,9-10H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyZVZKVNOTUYRXQB-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.51
Rot. Bonds5

About 4-[[4-[(dimethylamino)methyl]benzoyl]amino]cyclopent-2-ene-1-carboxylic acid

4-[[4-[(dimethylamino)methyl]benzoyl]amino]cyclopent-2-ene-1-carboxylic acid (PubChem CID 79192506) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-[[4-[(dimethylamino)methyl]benzoyl]amino]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[[4-[(dimethylamino)methyl]benzoyl]amino]cyclopent-2-ene-1-carboxylic acid
PubChem CID79192506
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name4-[[4-[(dimethylamino)methyl]benzoyl]amino]cyclopent-2-ene-1-carboxylic acid
SMILESCN(C)Cc1ccc(C(=O)NC2C=CC(C(=O)O)C2)cc1
InChIInChI=1S/C16H20N2O3/c1-18(2)10-11-3-5-12(6-4-11)15(19)17-14-8-7-13(9-14)16(20)21/h3-8,13-14H,9-10H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyZVZKVNOTUYRXQB-UHFFFAOYSA-N
XLogP1.51
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R,4S)-4-benzamidocyclopent-2-ene-1-carboxylic acid
CID 18657670
4-[[benzyl(methyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid
CID 79216968
4-[(dimethylamino)methyl]-N-(4-hydroxycyclohexyl)benzamide
CID 43393996
4-[(dimethylamino)methyl]-N-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]benzamide
CID 97060723
4-[(3-bromobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79209780
4-[(dimethylamino)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 104957519
4-[(6-chloropyridine-3-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79209667
4-[(3,4,5-trifluorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79209881
4-[(3-fluorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79209105
4-[(3-chloro-4-fluorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 82875478
4-[[2-(aminomethyl)pyridine-4-carbonyl]amino]cyclopent-2-ene-1-carboxylic acid
CID 114326766
4-[(2,6-dimethoxybenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79191926

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(dimethylamino)methyl]benzoyl]amino]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-[[4-[(dimethylamino)methyl]benzoyl]amino]cyclopent-2-ene-1-carboxylic acid (CID 79192506) is 4-[[4-[(dimethylamino)methyl]benzoyl]amino]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[[4-[(dimethylamino)methyl]benzoyl]amino]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[[4-[(dimethylamino)methyl]benzoyl]amino]cyclopent-2-ene-1-carboxylic acid is CN(C)Cc1ccc(C(=O)NC2C=CC(C(=O)O)C2)cc1.
What is the InChIKey of 4-[[4-[(dimethylamino)methyl]benzoyl]amino]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is ZVZKVNOTUYRXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-18(2)10-11-3-5-12(6-4-11)15(19)17-14-8-7-13(9-14)16(20)21/h3-8,13-14H,9-10H2,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 4-[[4-[(dimethylamino)methyl]benzoyl]amino]cyclopent-2-ene-1-carboxylic acid?
4-[[4-[(dimethylamino)methyl]benzoyl]amino]cyclopent-2-ene-1-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(dimethylamino)methyl]benzoyl]amino]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79192506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).