ethyl 3-[(5-oxopyrrolidine-2-carbonyl)amino]benzoate

C14H16N2O4 — CID 110462157

IUPACethyl 3-[(5-oxopyrrolidine-2-carbonyl)amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)C2CCC(=O)N2)c1
InChIInChI=1S/C14H16N2O4/c1-2-20-14(19)9-4-3-5-10(8-9)15-13(18)11-6-7-12(17)16-11/h3-5,8,11H,2,6-7H2,1H3,(H,15,18)(H,16,17)
InChIKeyKECLEJCCFINVCC-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.08
Rot. Bonds4

About ethyl 3-[(5-oxopyrrolidine-2-carbonyl)amino]benzoate

ethyl 3-[(5-oxopyrrolidine-2-carbonyl)amino]benzoate (PubChem CID 110462157) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is ethyl 3-[(5-oxopyrrolidine-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 3-[(5-oxopyrrolidine-2-carbonyl)amino]benzoate
PubChem CID110462157
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Nameethyl 3-[(5-oxopyrrolidine-2-carbonyl)amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)C2CCC(=O)N2)c1
InChIInChI=1S/C14H16N2O4/c1-2-20-14(19)9-4-3-5-10(8-9)15-13(18)11-6-7-12(17)16-11/h3-5,8,11H,2,6-7H2,1H3,(H,15,18)(H,16,17)
InChIKeyKECLEJCCFINVCC-UHFFFAOYSA-N
XLogP1.08
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110482254
N-[3-(ethylaminomethyl)phenyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride
CID 119438155
ethyl 3-[[(2R)-oxolane-2-carbonyl]amino]benzoate
CID 2169884
ethyl 3-acetamidobenzoate
CID 700589
ethyl 3-(piperidine-3-carbonylamino)benzoate
CID 61260625
(5-oxopyrrolidin-2-yl)methyl 3-(cyclohexanecarbonylamino)benzoate
CID 78877222
ethyl 2-hydroxy-5-[[(2R)-7-oxoazepane-2-carbonyl]amino]benzoate
CID 125143991
N-(3-acetylphenyl)-6-oxodiazinane-3-carboxamide
CID 78507830
ethyl 3-[[2-(cyclopropylamino)acetyl]amino]benzoate
CID 61260799
2-[3-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]acetic acid
CID 103803780
N-(3-methylsulfonylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110793299
ethyl 3-[(4-aminocyclopent-2-ene-1-carbonyl)amino]benzoate
CID 79207693

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(5-oxopyrrolidine-2-carbonyl)amino]benzoate?
The IUPAC name of ethyl 3-[(5-oxopyrrolidine-2-carbonyl)amino]benzoate (CID 110462157) is ethyl 3-[(5-oxopyrrolidine-2-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 3-[(5-oxopyrrolidine-2-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 3-[(5-oxopyrrolidine-2-carbonyl)amino]benzoate is CCOC(=O)c1cccc(NC(=O)C2CCC(=O)N2)c1.
What is the InChIKey of ethyl 3-[(5-oxopyrrolidine-2-carbonyl)amino]benzoate?
The InChIKey is KECLEJCCFINVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-2-20-14(19)9-4-3-5-10(8-9)15-13(18)11-6-7-12(17)16-11/h3-5,8,11H,2,6-7H2,1H3,(H,15,18)(H,16,17).
What are the key properties of ethyl 3-[(5-oxopyrrolidine-2-carbonyl)amino]benzoate?
ethyl 3-[(5-oxopyrrolidine-2-carbonyl)amino]benzoate has a molecular weight of 276.29 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(5-oxopyrrolidine-2-carbonyl)amino]benzoate is sourced from PubChem (CID 110462157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).