ethyl 3-[(4-aminocyclopent-2-ene-1-carbonyl)amino]benzoate

C15H18N2O3 — CID 79207693

IUPACethyl 3-[(4-aminocyclopent-2-ene-1-carbonyl)amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)C2C=CC(N)C2)c1
InChIInChI=1S/C15H18N2O3/c1-2-20-15(19)11-4-3-5-13(9-11)17-14(18)10-6-7-12(16)8-10/h3-7,9-10,12H,2,8,16H2,1H3,(H,17,18)
InChIKeyWVHLWOSIYIBJGJ-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.71
Rot. Bonds4

About ethyl 3-[(4-aminocyclopent-2-ene-1-carbonyl)amino]benzoate

ethyl 3-[(4-aminocyclopent-2-ene-1-carbonyl)amino]benzoate (PubChem CID 79207693) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is ethyl 3-[(4-aminocyclopent-2-ene-1-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 3-[(4-aminocyclopent-2-ene-1-carbonyl)amino]benzoate
PubChem CID79207693
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Nameethyl 3-[(4-aminocyclopent-2-ene-1-carbonyl)amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)C2C=CC(N)C2)c1
InChIInChI=1S/C15H18N2O3/c1-2-20-15(19)11-4-3-5-13(9-11)17-14(18)10-6-7-12(16)8-10/h3-7,9-10,12H,2,8,16H2,1H3,(H,17,18)
InChIKeyWVHLWOSIYIBJGJ-UHFFFAOYSA-N
XLogP1.71
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-acetylphenyl)-4-aminocyclopent-2-ene-1-carboxamide
CID 79207031
4-amino-N-(3-propoxyphenyl)cyclopent-2-ene-1-carboxamide
CID 79210859
4-amino-N-(3-methoxyphenyl)cyclopent-2-ene-1-carboxamide
CID 79211392
ethyl 3-acetamidobenzoate
CID 700589
ethyl 3-[[2-(cyclopropylamino)acetyl]amino]benzoate
CID 61260799
ethyl 3-[[(2R)-oxolane-2-carbonyl]amino]benzoate
CID 2169884
ethyl 3-[(5-oxopyrrolidine-2-carbonyl)amino]benzoate
CID 110462157
4-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]cyclopent-2-ene-1-carboxamide
CID 79209042
ethyl 3-(3-oxobutanoylamino)benzoate
CID 18072873
ethyl 3-(2-methylpropanoylamino)benzoate
CID 836905
ethyl 3-(9H-xanthene-9-carbonylamino)benzoate
CID 1344960
ethyl 3-(3-cyclopentylpropanoylamino)benzoate
CID 837279

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(4-aminocyclopent-2-ene-1-carbonyl)amino]benzoate?
The IUPAC name of ethyl 3-[(4-aminocyclopent-2-ene-1-carbonyl)amino]benzoate (CID 79207693) is ethyl 3-[(4-aminocyclopent-2-ene-1-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 3-[(4-aminocyclopent-2-ene-1-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 3-[(4-aminocyclopent-2-ene-1-carbonyl)amino]benzoate is CCOC(=O)c1cccc(NC(=O)C2C=CC(N)C2)c1.
What is the InChIKey of ethyl 3-[(4-aminocyclopent-2-ene-1-carbonyl)amino]benzoate?
The InChIKey is WVHLWOSIYIBJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-2-20-15(19)11-4-3-5-13(9-11)17-14(18)10-6-7-12(16)8-10/h3-7,9-10,12H,2,8,16H2,1H3,(H,17,18).
What are the key properties of ethyl 3-[(4-aminocyclopent-2-ene-1-carbonyl)amino]benzoate?
ethyl 3-[(4-aminocyclopent-2-ene-1-carbonyl)amino]benzoate has a molecular weight of 274.32 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(4-aminocyclopent-2-ene-1-carbonyl)amino]benzoate is sourced from PubChem (CID 79207693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).