4-(2-methoxyethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid

C10H16N2O4 — CID 79216090

IUPAC4-(2-methoxyethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
SMILESCOCCNC(=O)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C10H16N2O4/c1-16-5-4-11-10(15)12-8-3-2-7(6-8)9(13)14/h2-3,7-8H,4-6H2,1H3,(H,13,14)(H2,11,12,15)
InChIKeyCOOFNLFMPRIKMO-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.04
Rot. Bonds5

About 4-(2-methoxyethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid

4-(2-methoxyethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid (PubChem CID 79216090) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 4-(2-methoxyethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-methoxyethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
PubChem CID79216090
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name4-(2-methoxyethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
SMILESCOCCNC(=O)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C10H16N2O4/c1-16-5-4-11-10(15)12-8-3-2-7(6-8)9(13)14/h2-3,7-8H,4-6H2,1H3,(H,13,14)(H2,11,12,15)
InChIKeyCOOFNLFMPRIKMO-UHFFFAOYSA-N
XLogP-0.04
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(butylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79216867
4-(pentylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79216817
4-(2-cyclopentylethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79216844
4-[(4-ethylcyclohexyl)methylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79191671
4-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 106279258
4-(oxan-4-ylmethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79210811
4-(2-pyridin-4-ylethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79216631
4-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 106279455
4-[2-(2-fluorophenyl)ethylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79191793
4-[(3-ethoxycyclobutyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 114120236
4-(2-piperidin-1-ylpropylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79191668
4-[(2,6-dimethoxybenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79191926

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-(2-methoxyethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid (CID 79216090) is 4-(2-methoxyethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-(2-methoxyethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-(2-methoxyethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid is COCCNC(=O)NC1C=CC(C(=O)O)C1.
What is the InChIKey of 4-(2-methoxyethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid?
The InChIKey is COOFNLFMPRIKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-16-5-4-11-10(15)12-8-3-2-7(6-8)9(13)14/h2-3,7-8H,4-6H2,1H3,(H,13,14)(H2,11,12,15).
What are the key properties of 4-(2-methoxyethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid?
4-(2-methoxyethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid has a molecular weight of 228.25 g/mol, XLogP of -0.04, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79216090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).