ethyl (3R)-3-hydrazinyl-2,5-dioxopyrrolidine-3-carboxylate

C7H11N3O4 — CID 102519853

IUPACethyl (3R)-3-hydrazinyl-2,5-dioxopyrrolidine-3-carboxylate
SMILESCCOC(=O)[C@@]1(NN)CC(=O)NC1=O
InChIInChI=1S/C7H11N3O4/c1-2-14-6(13)7(10-8)3-4(11)9-5(7)12/h10H,2-3,8H2,1H3,(H,9,11,12)/t7-/m1/s1
InChIKeyVJPCUPKMUMELLJ-SSDOTTSWSA-N
MW201.18 g/mol
LogP-2.20
Rot. Bonds3

About ethyl (3R)-3-hydrazinyl-2,5-dioxopyrrolidine-3-carboxylate

ethyl (3R)-3-hydrazinyl-2,5-dioxopyrrolidine-3-carboxylate (PubChem CID 102519853) has the molecular formula C7H11N3O4 and a molecular weight of 201.18 g/mol. Its IUPAC name is ethyl (3R)-3-hydrazinyl-2,5-dioxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-3-hydrazinyl-2,5-dioxopyrrolidine-3-carboxylate
PubChem CID102519853
Molecular FormulaC7H11N3O4
Molecular Weight201.18 g/mol
Exact Mass201.07
IUPAC Nameethyl (3R)-3-hydrazinyl-2,5-dioxopyrrolidine-3-carboxylate
SMILESCCOC(=O)[C@@]1(NN)CC(=O)NC1=O
InChIInChI=1S/C7H11N3O4/c1-2-14-6(13)7(10-8)3-4(11)9-5(7)12/h10H,2-3,8H2,1H3,(H,9,11,12)/t7-/m1/s1
InChIKeyVJPCUPKMUMELLJ-SSDOTTSWSA-N
XLogP-2.20
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 5-2.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-[(2-methylpropan-2-yl)oxycarbonyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]-2,5-dioxopyrrolidine-3-carboxylate
CID 67342586
ethyl (1R)-1-chloro-2-oxocycloheptane-1-carboxylate
CID 101375354
1-[(3R)-3-ethoxycarbonyl-2,5-dioxopyrrolidin-3-yl]pyrrole-2-carboxylic acid
CID 139694411
ethyl 2-ethyl-5-oxopyrrolidine-2-carboxylate
CID 58405373
ethyl (3R)-3-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidine-3-carboxylate
CID 97184502
ethyl 3-oxobicyclo[2.2.2]octane-1-carboxylate
CID 130611711
diethyl 6,8-dioxobicyclo[3.2.2]nonane-1,5-dicarboxylate
CID 2825180
ethyl 1,3-dimethylcyclopent-3-ene-1-carboxylate
CID 158121003
ethyl 1-[(1-ethoxycarbonylcyclopropyl)carbamoylamino]cyclopropane-1-carboxylate
CID 53399515
ethyl 3-butyl-1-chloro-4-methyl-2-oxocyclopent-3-ene-1-carboxylate
CID 24973433
ethyl 3-oxo-2-azaspiro[4.7]dodecane-1-carboxylate
CID 105360328
2-O'-ethyl 2-O-methyl 1-methoxyaziridine-2,2-dicarboxylate
CID 593823

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-hydrazinyl-2,5-dioxopyrrolidine-3-carboxylate?
The IUPAC name of ethyl (3R)-3-hydrazinyl-2,5-dioxopyrrolidine-3-carboxylate (CID 102519853) is ethyl (3R)-3-hydrazinyl-2,5-dioxopyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-3-hydrazinyl-2,5-dioxopyrrolidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-3-hydrazinyl-2,5-dioxopyrrolidine-3-carboxylate is CCOC(=O)[C@@]1(NN)CC(=O)NC1=O.
What is the InChIKey of ethyl (3R)-3-hydrazinyl-2,5-dioxopyrrolidine-3-carboxylate?
The InChIKey is VJPCUPKMUMELLJ-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H11N3O4/c1-2-14-6(13)7(10-8)3-4(11)9-5(7)12/h10H,2-3,8H2,1H3,(H,9,11,12)/t7-/m1/s1.
What are the key properties of ethyl (3R)-3-hydrazinyl-2,5-dioxopyrrolidine-3-carboxylate?
ethyl (3R)-3-hydrazinyl-2,5-dioxopyrrolidine-3-carboxylate has a molecular weight of 201.18 g/mol, XLogP of -2.20, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-hydrazinyl-2,5-dioxopyrrolidine-3-carboxylate is sourced from PubChem (CID 102519853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).