ethyl 2-[2-[1-(methylcarbamoyl)pyrrolidine-2-carbonyl]hydrazinyl]benzoate

C16H22N4O4 — CID 134209619

IUPACethyl 2-[2-[1-(methylcarbamoyl)pyrrolidine-2-carbonyl]hydrazinyl]benzoate
SMILESCCOC(=O)c1ccccc1NNC(=O)C1CCCN1C(=O)NC
InChIInChI=1S/C16H22N4O4/c1-3-24-15(22)11-7-4-5-8-12(11)18-19-14(21)13-9-6-10-20(13)16(23)17-2/h4-5,7-8,13,18H,3,6,9-10H2,1-2H3,(H,17,23)(H,19,21)
InChIKeyFBFYFQXVUUSLFC-UHFFFAOYSA-N
MW334.38 g/mol
LogP1.11
Rot. Bonds5

About ethyl 2-[2-[1-(methylcarbamoyl)pyrrolidine-2-carbonyl]hydrazinyl]benzoate

ethyl 2-[2-[1-(methylcarbamoyl)pyrrolidine-2-carbonyl]hydrazinyl]benzoate (PubChem CID 134209619) has the molecular formula C16H22N4O4 and a molecular weight of 334.38 g/mol. Its IUPAC name is ethyl 2-[2-[1-(methylcarbamoyl)pyrrolidine-2-carbonyl]hydrazinyl]benzoate.

Molecular Properties

Compound Nameethyl 2-[2-[1-(methylcarbamoyl)pyrrolidine-2-carbonyl]hydrazinyl]benzoate
PubChem CID134209619
Molecular FormulaC16H22N4O4
Molecular Weight334.38 g/mol
Exact Mass334.16
IUPAC Nameethyl 2-[2-[1-(methylcarbamoyl)pyrrolidine-2-carbonyl]hydrazinyl]benzoate
SMILESCCOC(=O)c1ccccc1NNC(=O)C1CCCN1C(=O)NC
InChIInChI=1S/C16H22N4O4/c1-3-24-15(22)11-7-4-5-8-12(11)18-19-14(21)13-9-6-10-20(13)16(23)17-2/h4-5,7-8,13,18H,3,6,9-10H2,1-2H3,(H,17,23)(H,19,21)
InChIKeyFBFYFQXVUUSLFC-UHFFFAOYSA-N
XLogP1.11
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(2-ethoxycarbonylanilino)carbamoyl]pyrrolidine-1-carboxylate
CID 134209965
ethyl 4-[2-[(2S)-1-(methylcarbamoyl)pyrrolidine-2-carbonyl]hydrazinyl]benzoate
CID 134210056
ethyl 1-[(2-methoxycarbonylphenyl)carbamoyl]piperidine-2-carboxylate
CID 3362158
ethyl 2-[(4-cyclopentylpiperazine-1-carbonyl)amino]benzoate
CID 113104471
ethyl 2-[[(1S,6R)-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl]amino]benzoate
CID 50952968
ethyl 2-[[1-(2-ethylpiperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 108980112
ethyl 2-(cyclopropylamino)benzoate
CID 103438878
ethyl 2-[[(3R)-1-[(2-chlorophenyl)methyl]piperidine-3-carbonyl]amino]benzoate
CID 93490772
ethyl 2-[[1-(phenylcarbamoyl)piperidine-4-carbonyl]amino]benzoate
CID 113008681
ethyl 2-(cyclopentylcarbamoylamino)benzoate
CID 110755189
1-N-benzyl-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 47085421
ethyl 2-[3-(4-methylpiperidin-1-yl)propanoylamino]benzoate
CID 109014620

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[1-(methylcarbamoyl)pyrrolidine-2-carbonyl]hydrazinyl]benzoate?
The IUPAC name of ethyl 2-[2-[1-(methylcarbamoyl)pyrrolidine-2-carbonyl]hydrazinyl]benzoate (CID 134209619) is ethyl 2-[2-[1-(methylcarbamoyl)pyrrolidine-2-carbonyl]hydrazinyl]benzoate.
What is the SMILES notation for ethyl 2-[2-[1-(methylcarbamoyl)pyrrolidine-2-carbonyl]hydrazinyl]benzoate?
The canonical SMILES for ethyl 2-[2-[1-(methylcarbamoyl)pyrrolidine-2-carbonyl]hydrazinyl]benzoate is CCOC(=O)c1ccccc1NNC(=O)C1CCCN1C(=O)NC.
What is the InChIKey of ethyl 2-[2-[1-(methylcarbamoyl)pyrrolidine-2-carbonyl]hydrazinyl]benzoate?
The InChIKey is FBFYFQXVUUSLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4/c1-3-24-15(22)11-7-4-5-8-12(11)18-19-14(21)13-9-6-10-20(13)16(23)17-2/h4-5,7-8,13,18H,3,6,9-10H2,1-2H3,(H,17,23)(H,19,21).
What are the key properties of ethyl 2-[2-[1-(methylcarbamoyl)pyrrolidine-2-carbonyl]hydrazinyl]benzoate?
ethyl 2-[2-[1-(methylcarbamoyl)pyrrolidine-2-carbonyl]hydrazinyl]benzoate has a molecular weight of 334.38 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[1-(methylcarbamoyl)pyrrolidine-2-carbonyl]hydrazinyl]benzoate is sourced from PubChem (CID 134209619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).