(2S)-1-(2-hydrazinyl-2-oxoacetyl)pyrrolidine-2-carbohydrazide

C7H13N5O3 — CID 10176748

IUPAC(2S)-1-(2-hydrazinyl-2-oxoacetyl)pyrrolidine-2-carbohydrazide
SMILESNNC(=O)C(=O)N1CCC[C@H]1C(=O)NN
InChIInChI=1S/C7H13N5O3/c8-10-5(13)4-2-1-3-12(4)7(15)6(14)11-9/h4H,1-3,8-9H2,(H,10,13)(H,11,14)/t4-/m0/s1
InChIKeyPEKFEHZPMCCCII-BYPYZUCNSA-N
MW215.21 g/mol
LogP-3.04
Rot. Bonds1

About (2S)-1-(2-hydrazinyl-2-oxoacetyl)pyrrolidine-2-carbohydrazide

(2S)-1-(2-hydrazinyl-2-oxoacetyl)pyrrolidine-2-carbohydrazide (PubChem CID 10176748) has the molecular formula C7H13N5O3 and a molecular weight of 215.21 g/mol. Its IUPAC name is (2S)-1-(2-hydrazinyl-2-oxoacetyl)pyrrolidine-2-carbohydrazide.

Molecular Properties

Compound Name(2S)-1-(2-hydrazinyl-2-oxoacetyl)pyrrolidine-2-carbohydrazide
PubChem CID10176748
Molecular FormulaC7H13N5O3
Molecular Weight215.21 g/mol
Exact Mass215.10
IUPAC Name(2S)-1-(2-hydrazinyl-2-oxoacetyl)pyrrolidine-2-carbohydrazide
SMILESNNC(=O)C(=O)N1CCC[C@H]1C(=O)NN
InChIInChI=1S/C7H13N5O3/c8-10-5(13)4-2-1-3-12(4)7(15)6(14)11-9/h4H,1-3,8-9H2,(H,10,13)(H,11,14)/t4-/m0/s1
InChIKeyPEKFEHZPMCCCII-BYPYZUCNSA-N
XLogP-3.04
TPSA130.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 5-3.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-methylpyrrolidine-2-carbohydrazide
CID 12522151
N-cyclopropyl-4-(2-hydrazinyl-2-oxoacetyl)morpholine-3-carboxamide
CID 83103627
tert-butyl (2R)-2-(hydrazinecarbonyl)azetidine-1-carboxylate
CID 129408107
1-(aminocarbamothioyl)pyrrolidine-2-carboxylic acid
CID 142087630
(2R)-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 78922595
(2S)-1-(3,3-dimethyl-2-oxopentanoyl)-N'-methylpyrrolidine-2-carbohydrazide
CID 142038755
(2S)-N-ethyl-1-(2-methylprop-2-enoyl)pyrrolidine-2-carboxamide
CID 14282316
bromomethyl (2S)-1-[(2S)-2-(bromomethoxycarbonyl)pyrrolidine-1-carbonyl]pyrrolidine-2-carboxylate
CID 174654506
1-[(2S)-2-acetylpyrrolidin-1-yl]propane-1,2-dione
CID 59063523
2-(2,2,2-trifluoroethylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 123428236
(2S)-1-acetyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 143443492
methyl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate
CID 115606581

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-hydrazinyl-2-oxoacetyl)pyrrolidine-2-carbohydrazide?
The IUPAC name of (2S)-1-(2-hydrazinyl-2-oxoacetyl)pyrrolidine-2-carbohydrazide (CID 10176748) is (2S)-1-(2-hydrazinyl-2-oxoacetyl)pyrrolidine-2-carbohydrazide.
What is the SMILES notation for (2S)-1-(2-hydrazinyl-2-oxoacetyl)pyrrolidine-2-carbohydrazide?
The canonical SMILES for (2S)-1-(2-hydrazinyl-2-oxoacetyl)pyrrolidine-2-carbohydrazide is NNC(=O)C(=O)N1CCC[C@H]1C(=O)NN.
What is the InChIKey of (2S)-1-(2-hydrazinyl-2-oxoacetyl)pyrrolidine-2-carbohydrazide?
The InChIKey is PEKFEHZPMCCCII-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H13N5O3/c8-10-5(13)4-2-1-3-12(4)7(15)6(14)11-9/h4H,1-3,8-9H2,(H,10,13)(H,11,14)/t4-/m0/s1.
What are the key properties of (2S)-1-(2-hydrazinyl-2-oxoacetyl)pyrrolidine-2-carbohydrazide?
(2S)-1-(2-hydrazinyl-2-oxoacetyl)pyrrolidine-2-carbohydrazide has a molecular weight of 215.21 g/mol, XLogP of -3.04, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-hydrazinyl-2-oxoacetyl)pyrrolidine-2-carbohydrazide is sourced from PubChem (CID 10176748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).