ethyl 4-[2-(hydrazinecarbonyloxy)ethoxycarbonylamino]benzoate

C13H17N3O6 — CID 70810353

IUPACethyl 4-[2-(hydrazinecarbonyloxy)ethoxycarbonylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)OCCOC(=O)NN)cc1
InChIInChI=1S/C13H17N3O6/c1-2-20-11(17)9-3-5-10(6-4-9)15-12(18)21-7-8-22-13(19)16-14/h3-6H,2,7-8,14H2,1H3,(H,15,18)(H,16,19)
InChIKeyARWOCVHBDLUSBM-UHFFFAOYSA-N
MW311.29 g/mol
LogP1.01
Rot. Bonds6

About ethyl 4-[2-(hydrazinecarbonyloxy)ethoxycarbonylamino]benzoate

ethyl 4-[2-(hydrazinecarbonyloxy)ethoxycarbonylamino]benzoate (PubChem CID 70810353) has the molecular formula C13H17N3O6 and a molecular weight of 311.29 g/mol. Its IUPAC name is ethyl 4-[2-(hydrazinecarbonyloxy)ethoxycarbonylamino]benzoate.

Molecular Properties

Compound Nameethyl 4-[2-(hydrazinecarbonyloxy)ethoxycarbonylamino]benzoate
PubChem CID70810353
Molecular FormulaC13H17N3O6
Molecular Weight311.29 g/mol
Exact Mass311.11
IUPAC Nameethyl 4-[2-(hydrazinecarbonyloxy)ethoxycarbonylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)OCCOC(=O)NN)cc1
InChIInChI=1S/C13H17N3O6/c1-2-20-11(17)9-3-5-10(6-4-9)15-12(18)21-7-8-22-13(19)16-14/h3-6H,2,7-8,14H2,1H3,(H,15,18)(H,16,19)
InChIKeyARWOCVHBDLUSBM-UHFFFAOYSA-N
XLogP1.01
TPSA128.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl 4-[2-(hydrazinecarbonyloxy)ethoxycarbonylamino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-(2-chloroethoxycarbonylamino)benzoate
CID 589550
ethyl 4-[2-[(2-ethoxy-2-oxoacetyl)amino]ethoxycarbonylamino]benzoate
CID 5025785
ethyl 4-(2-piperidin-1-ylethoxycarbonylamino)benzoate
CID 23276159
ethyl 4-(4-acetamidophenyl)benzoate
CID 134688952
ethyl 4-[[2-(ethoxycarbonylamino)acetyl]amino]benzoate
CID 113000796
4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoic acid
CID 69242497
2-ethoxyethyl N-(4-methylphenyl)carbamate
CID 4614670
methyl 4-(2-hydroxyethoxycarbonylamino)benzoate
CID 79346274
ethyl 4-(4-methylpentanoylamino)benzoate
CID 43404103
ethyl 4-(methoxymethylcarbamoylamino)benzoate
CID 71410631
ethyl 4-(3-methoxypropanoylamino)benzoate
CID 62590057
ethyl 4-[(4-acetylbenzoyl)amino]benzoate
CID 4687806

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(hydrazinecarbonyloxy)ethoxycarbonylamino]benzoate?
The IUPAC name of ethyl 4-[2-(hydrazinecarbonyloxy)ethoxycarbonylamino]benzoate (CID 70810353) is ethyl 4-[2-(hydrazinecarbonyloxy)ethoxycarbonylamino]benzoate.
What is the SMILES notation for ethyl 4-[2-(hydrazinecarbonyloxy)ethoxycarbonylamino]benzoate?
The canonical SMILES for ethyl 4-[2-(hydrazinecarbonyloxy)ethoxycarbonylamino]benzoate is CCOC(=O)c1ccc(NC(=O)OCCOC(=O)NN)cc1.
What is the InChIKey of ethyl 4-[2-(hydrazinecarbonyloxy)ethoxycarbonylamino]benzoate?
The InChIKey is ARWOCVHBDLUSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O6/c1-2-20-11(17)9-3-5-10(6-4-9)15-12(18)21-7-8-22-13(19)16-14/h3-6H,2,7-8,14H2,1H3,(H,15,18)(H,16,19).
What are the key properties of ethyl 4-[2-(hydrazinecarbonyloxy)ethoxycarbonylamino]benzoate?
ethyl 4-[2-(hydrazinecarbonyloxy)ethoxycarbonylamino]benzoate has a molecular weight of 311.29 g/mol, XLogP of 1.01, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(hydrazinecarbonyloxy)ethoxycarbonylamino]benzoate is sourced from PubChem (CID 70810353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).