amino (2S)-3-hydrazinyl-2-methyl-3-oxopropanoate

C4H9N3O3 — CID 174723059

IUPACamino (2S)-3-hydrazinyl-2-methyl-3-oxopropanoate
SMILESC[C@@H](C(=O)NN)C(=O)ON
InChIInChI=1S/C4H9N3O3/c1-2(3(8)7-5)4(9)10-6/h2H,5-6H2,1H3,(H,7,8)/t2-/m0/s1
InChIKeyVOEWVGLUCGGMFA-REOHCLBHSA-N
MW147.13 g/mol
LogP-1.97
Rot. Bonds2

About amino (2S)-3-hydrazinyl-2-methyl-3-oxopropanoate

amino (2S)-3-hydrazinyl-2-methyl-3-oxopropanoate (PubChem CID 174723059) has the molecular formula C4H9N3O3 and a molecular weight of 147.13 g/mol. Its IUPAC name is amino (2S)-3-hydrazinyl-2-methyl-3-oxopropanoate.

Molecular Properties

Compound Nameamino (2S)-3-hydrazinyl-2-methyl-3-oxopropanoate
PubChem CID174723059
Molecular FormulaC4H9N3O3
Molecular Weight147.13 g/mol
Exact Mass147.06
IUPAC Nameamino (2S)-3-hydrazinyl-2-methyl-3-oxopropanoate
SMILESC[C@@H](C(=O)NN)C(=O)ON
InChIInChI=1S/C4H9N3O3/c1-2(3(8)7-5)4(9)10-6/h2H,5-6H2,1H3,(H,7,8)/t2-/m0/s1
InChIKeyVOEWVGLUCGGMFA-REOHCLBHSA-N
XLogP-1.97
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 5-1.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze amino (2S)-3-hydrazinyl-2-methyl-3-oxopropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of amino (2S)-3-hydrazinyl-2-methyl-3-oxopropanoate?
The IUPAC name of amino (2S)-3-hydrazinyl-2-methyl-3-oxopropanoate (CID 174723059) is amino (2S)-3-hydrazinyl-2-methyl-3-oxopropanoate.
What is the SMILES notation for amino (2S)-3-hydrazinyl-2-methyl-3-oxopropanoate?
The canonical SMILES for amino (2S)-3-hydrazinyl-2-methyl-3-oxopropanoate is C[C@@H](C(=O)NN)C(=O)ON.
What is the InChIKey of amino (2S)-3-hydrazinyl-2-methyl-3-oxopropanoate?
The InChIKey is VOEWVGLUCGGMFA-REOHCLBHSA-N. The full InChI is InChI=1S/C4H9N3O3/c1-2(3(8)7-5)4(9)10-6/h2H,5-6H2,1H3,(H,7,8)/t2-/m0/s1.
What are the key properties of amino (2S)-3-hydrazinyl-2-methyl-3-oxopropanoate?
amino (2S)-3-hydrazinyl-2-methyl-3-oxopropanoate has a molecular weight of 147.13 g/mol, XLogP of -1.97, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for amino (2S)-3-hydrazinyl-2-methyl-3-oxopropanoate is sourced from PubChem (CID 174723059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).