2-(hydrazinylmethylideneamino)acetic acid;(2S)-5-oxopyrrolidine-2-carboxylic acid

C8H14N4O5 — CID 71445877

IUPAC2-(hydrazinylmethylideneamino)acetic acid;(2S)-5-oxopyrrolidine-2-carboxylic acid
SMILESNN/C=N/CC(=O)O.O=C1CC[C@@H](C(=O)O)N1
InChIInChI=1S/C5H7NO3.C3H7N3O2/c7-4-2-1-3(6-4)5(8)9;4-6-2-5-1-3(7)8/h3H,1-2H2,(H,6,7)(H,8,9);2H,1,4H2,(H,5,6)(H,7,8)/t3-;/m0./s1
InChIKeyGHFRNGSPKXSDQJ-DFWYDOINSA-N
MW246.22 g/mol
LogP-2.09
Rot. Bonds4

About 2-(hydrazinylmethylideneamino)acetic acid;(2S)-5-oxopyrrolidine-2-carboxylic acid

2-(hydrazinylmethylideneamino)acetic acid;(2S)-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 71445877) has the molecular formula C8H14N4O5 and a molecular weight of 246.22 g/mol. Its IUPAC name is 2-(hydrazinylmethylideneamino)acetic acid;(2S)-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-(hydrazinylmethylideneamino)acetic acid;(2S)-5-oxopyrrolidine-2-carboxylic acid
PubChem CID71445877
Molecular FormulaC8H14N4O5
Molecular Weight246.22 g/mol
Exact Mass246.10
IUPAC Name2-(hydrazinylmethylideneamino)acetic acid;(2S)-5-oxopyrrolidine-2-carboxylic acid
SMILESNN/C=N/CC(=O)O.O=C1CC[C@@H](C(=O)O)N1
InChIInChI=1S/C5H7NO3.C3H7N3O2/c7-4-2-1-3(6-4)5(8)9;4-6-2-5-1-3(7)8/h3H,1-2H2,(H,6,7)(H,8,9);2H,1,4H2,(H,5,6)(H,7,8)/t3-;/m0./s1
InChIKeyGHFRNGSPKXSDQJ-DFWYDOINSA-N
XLogP-2.09
TPSA154.11 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 5-2.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(hydrazinylmethylideneamino)acetic acid;(2S)-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of 2-(hydrazinylmethylideneamino)acetic acid;(2S)-5-oxopyrrolidine-2-carboxylic acid (CID 71445877) is 2-(hydrazinylmethylideneamino)acetic acid;(2S)-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-(hydrazinylmethylideneamino)acetic acid;(2S)-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-(hydrazinylmethylideneamino)acetic acid;(2S)-5-oxopyrrolidine-2-carboxylic acid is NN/C=N/CC(=O)O.O=C1CC[C@@H](C(=O)O)N1.
What is the InChIKey of 2-(hydrazinylmethylideneamino)acetic acid;(2S)-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is GHFRNGSPKXSDQJ-DFWYDOINSA-N. The full InChI is InChI=1S/C5H7NO3.C3H7N3O2/c7-4-2-1-3(6-4)5(8)9;4-6-2-5-1-3(7)8/h3H,1-2H2,(H,6,7)(H,8,9);2H,1,4H2,(H,5,6)(H,7,8)/t3-;/m0./s1.
What are the key properties of 2-(hydrazinylmethylideneamino)acetic acid;(2S)-5-oxopyrrolidine-2-carboxylic acid?
2-(hydrazinylmethylideneamino)acetic acid;(2S)-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 246.22 g/mol, XLogP of -2.09, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydrazinylmethylideneamino)acetic acid;(2S)-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 71445877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).