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

C11H16N2O4 — CID 79208873

IUPAC4-[[2-[acetyl(methyl)amino]acetyl]amino]cyclopent-2-ene-1-carboxylic acid
SMILESCC(=O)N(C)CC(=O)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C11H16N2O4/c1-7(14)13(2)6-10(15)12-9-4-3-8(5-9)11(16)17/h3-4,8-9H,5-6H2,1-2H3,(H,12,15)(H,16,17)
InChIKeyBHWAIKCROMGJSO-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.39
Rot. Bonds4

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

4-[[2-[acetyl(methyl)amino]acetyl]amino]cyclopent-2-ene-1-carboxylic acid (PubChem CID 79208873) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 4-[[2-[acetyl(methyl)amino]acetyl]amino]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-[acetyl(methyl)amino]acetyl]amino]cyclopent-2-ene-1-carboxylic acid
PubChem CID79208873
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name4-[[2-[acetyl(methyl)amino]acetyl]amino]cyclopent-2-ene-1-carboxylic acid
SMILESCC(=O)N(C)CC(=O)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C11H16N2O4/c1-7(14)13(2)6-10(15)12-9-4-3-8(5-9)11(16)17/h3-4,8-9H,5-6H2,1-2H3,(H,12,15)(H,16,17)
InChIKeyBHWAIKCROMGJSO-UHFFFAOYSA-N
XLogP-0.39
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[acetyl(methyl)amino]acetyl]amino]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-[[2-[acetyl(methyl)amino]acetyl]amino]cyclopent-2-ene-1-carboxylic acid (CID 79208873) is 4-[[2-[acetyl(methyl)amino]acetyl]amino]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[[2-[acetyl(methyl)amino]acetyl]amino]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[[2-[acetyl(methyl)amino]acetyl]amino]cyclopent-2-ene-1-carboxylic acid is CC(=O)N(C)CC(=O)NC1C=CC(C(=O)O)C1.
What is the InChIKey of 4-[[2-[acetyl(methyl)amino]acetyl]amino]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is BHWAIKCROMGJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-7(14)13(2)6-10(15)12-9-4-3-8(5-9)11(16)17/h3-4,8-9H,5-6H2,1-2H3,(H,12,15)(H,16,17).
What are the key properties of 4-[[2-[acetyl(methyl)amino]acetyl]amino]cyclopent-2-ene-1-carboxylic acid?
4-[[2-[acetyl(methyl)amino]acetyl]amino]cyclopent-2-ene-1-carboxylic acid has a molecular weight of 240.26 g/mol, XLogP of -0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[acetyl(methyl)amino]acetyl]amino]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79208873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).