2-aminopentanedioic acid;hydrazine;hydrate

C5H15N3O5 — CID 174836274

IUPAC2-aminopentanedioic acid;hydrazine;hydrate
SMILESNC(CCC(=O)O)C(=O)O.NN.O
InChIInChI=1S/C5H9NO4.H4N2.H2O/c6-3(5(9)10)1-2-4(7)8;1-2;/h3H,1-2,6H2,(H,7,8)(H,9,10);1-2H2;1H2
InChIKeyHUKCRAQIRIYLJZ-UHFFFAOYSA-N
MW197.19 g/mol
LogP-2.74
Rot. Bonds4

About 2-aminopentanedioic acid;hydrazine;hydrate

2-aminopentanedioic acid;hydrazine;hydrate (PubChem CID 174836274) has the molecular formula C5H15N3O5 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-aminopentanedioic acid;hydrazine;hydrate.

Molecular Properties

Compound Name2-aminopentanedioic acid;hydrazine;hydrate
PubChem CID174836274
Molecular FormulaC5H15N3O5
Molecular Weight197.19 g/mol
Exact Mass197.10
IUPAC Name2-aminopentanedioic acid;hydrazine;hydrate
SMILESNC(CCC(=O)O)C(=O)O.NN.O
InChIInChI=1S/C5H9NO4.H4N2.H2O/c6-3(5(9)10)1-2-4(7)8;1-2;/h3H,1-2,6H2,(H,7,8)(H,9,10);1-2H2;1H2
InChIKeyHUKCRAQIRIYLJZ-UHFFFAOYSA-N
XLogP-2.74
TPSA184.16 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-2.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-aminopentanedioic acid;heptahydrate
CID 156766287
(2R)-2-aminopentanedioic acid;hydrate
CID 87451212
2-aminopentanedioic acid;hexahydrate
CID 173177476
CID 87237505
CID 87237505
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
2-aminopentanedioic acid
CID 611
sodium;(2R)-2-aminopentanedioic acid;hydride;hydrate
CID 173032516
(2S)-2-aminopentanedioic acid;trihydrochloride
CID 140679884
(2S)-2-aminopentanedioic acid;hydrobromide
CID 87753976
2-aminopentanedioic acid;bis(butanedioic acid)
CID 174955338
(2S)-2-aminopentanedioic acid;chromium
CID 87792997
potassium;2-aminopentanedioic acid;hydride
CID 173070457

Frequently Asked Questions

What is the IUPAC name of 2-aminopentanedioic acid;hydrazine;hydrate?
The IUPAC name of 2-aminopentanedioic acid;hydrazine;hydrate (CID 174836274) is 2-aminopentanedioic acid;hydrazine;hydrate.
What is the SMILES notation for 2-aminopentanedioic acid;hydrazine;hydrate?
The canonical SMILES for 2-aminopentanedioic acid;hydrazine;hydrate is NC(CCC(=O)O)C(=O)O.NN.O.
What is the InChIKey of 2-aminopentanedioic acid;hydrazine;hydrate?
The InChIKey is HUKCRAQIRIYLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO4.H4N2.H2O/c6-3(5(9)10)1-2-4(7)8;1-2;/h3H,1-2,6H2,(H,7,8)(H,9,10);1-2H2;1H2.
What are the key properties of 2-aminopentanedioic acid;hydrazine;hydrate?
2-aminopentanedioic acid;hydrazine;hydrate has a molecular weight of 197.19 g/mol, XLogP of -2.74, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopentanedioic acid;hydrazine;hydrate is sourced from PubChem (CID 174836274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).