(2S)-2-amino-5-hydrazinyl-5-oxopentanoic acid;hydrate

C5H13N3O4 — CID 154584353

IUPAC(2S)-2-amino-5-hydrazinyl-5-oxopentanoic acid;hydrate
SMILESNNC(=O)CC[C@H](N)C(=O)O.O
InChIInChI=1S/C5H11N3O3.H2O/c6-3(5(10)11)1-2-4(9)8-7;/h3H,1-2,6-7H2,(H,8,9)(H,10,11);1H2/t3-;/m0./s1
InChIKeyHXXGFFTVTJKWEZ-DFWYDOINSA-N
MW179.18 g/mol
LogP-2.66
Rot. Bonds4

About (2S)-2-amino-5-hydrazinyl-5-oxopentanoic acid;hydrate

(2S)-2-amino-5-hydrazinyl-5-oxopentanoic acid;hydrate (PubChem CID 154584353) has the molecular formula C5H13N3O4 and a molecular weight of 179.18 g/mol. Its IUPAC name is (2S)-2-amino-5-hydrazinyl-5-oxopentanoic acid;hydrate.

Molecular Properties

Compound Name(2S)-2-amino-5-hydrazinyl-5-oxopentanoic acid;hydrate
PubChem CID154584353
Molecular FormulaC5H13N3O4
Molecular Weight179.18 g/mol
Exact Mass179.09
IUPAC Name(2S)-2-amino-5-hydrazinyl-5-oxopentanoic acid;hydrate
SMILESNNC(=O)CC[C@H](N)C(=O)O.O
InChIInChI=1S/C5H11N3O3.H2O/c6-3(5(10)11)1-2-4(9)8-7;/h3H,1-2,6-7H2,(H,8,9)(H,10,11);1H2/t3-;/m0./s1
InChIKeyHXXGFFTVTJKWEZ-DFWYDOINSA-N
XLogP-2.66
TPSA149.94 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 5-2.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 (2S)-2-amino-5-hydrazinyl-5-oxopentanoic acid;hydrate?
The IUPAC name of (2S)-2-amino-5-hydrazinyl-5-oxopentanoic acid;hydrate (CID 154584353) is (2S)-2-amino-5-hydrazinyl-5-oxopentanoic acid;hydrate.
What is the SMILES notation for (2S)-2-amino-5-hydrazinyl-5-oxopentanoic acid;hydrate?
The canonical SMILES for (2S)-2-amino-5-hydrazinyl-5-oxopentanoic acid;hydrate is NNC(=O)CC[C@H](N)C(=O)O.O.
What is the InChIKey of (2S)-2-amino-5-hydrazinyl-5-oxopentanoic acid;hydrate?
The InChIKey is HXXGFFTVTJKWEZ-DFWYDOINSA-N. The full InChI is InChI=1S/C5H11N3O3.H2O/c6-3(5(10)11)1-2-4(9)8-7;/h3H,1-2,6-7H2,(H,8,9)(H,10,11);1H2/t3-;/m0./s1.
What are the key properties of (2S)-2-amino-5-hydrazinyl-5-oxopentanoic acid;hydrate?
(2S)-2-amino-5-hydrazinyl-5-oxopentanoic acid;hydrate has a molecular weight of 179.18 g/mol, XLogP of -2.66, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-hydrazinyl-5-oxopentanoic acid;hydrate is sourced from PubChem (CID 154584353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).