(2S)-2-[2-oxo-2-(2-pyridin-2-ylhydrazinyl)ethoxy]propanoic acid

C10H13N3O4 — CID 104876174

IUPAC(2S)-2-[2-oxo-2-(2-pyridin-2-ylhydrazinyl)ethoxy]propanoic acid
SMILESC[C@H](OCC(=O)NNc1ccccn1)C(=O)O
InChIInChI=1S/C10H13N3O4/c1-7(10(15)16)17-6-9(14)13-12-8-4-2-3-5-11-8/h2-5,7H,6H2,1H3,(H,11,12)(H,13,14)(H,15,16)/t7-/m0/s1
InChIKeyGBBDIZRTYQYQBO-ZETCQYMHSA-N
MW239.23 g/mol
LogP0.01
Rot. Bonds6

About (2S)-2-[2-oxo-2-(2-pyridin-2-ylhydrazinyl)ethoxy]propanoic acid

(2S)-2-[2-oxo-2-(2-pyridin-2-ylhydrazinyl)ethoxy]propanoic acid (PubChem CID 104876174) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is (2S)-2-[2-oxo-2-(2-pyridin-2-ylhydrazinyl)ethoxy]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[2-oxo-2-(2-pyridin-2-ylhydrazinyl)ethoxy]propanoic acid
PubChem CID104876174
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name(2S)-2-[2-oxo-2-(2-pyridin-2-ylhydrazinyl)ethoxy]propanoic acid
SMILESC[C@H](OCC(=O)NNc1ccccn1)C(=O)O
InChIInChI=1S/C10H13N3O4/c1-7(10(15)16)17-6-9(14)13-12-8-4-2-3-5-11-8/h2-5,7H,6H2,1H3,(H,11,12)(H,13,14)(H,15,16)/t7-/m0/s1
InChIKeyGBBDIZRTYQYQBO-ZETCQYMHSA-N
XLogP0.01
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-oxo-2-(2-pyridin-2-ylhydrazinyl)ethoxy]propanoic acid?
The IUPAC name of (2S)-2-[2-oxo-2-(2-pyridin-2-ylhydrazinyl)ethoxy]propanoic acid (CID 104876174) is (2S)-2-[2-oxo-2-(2-pyridin-2-ylhydrazinyl)ethoxy]propanoic acid.
What is the SMILES notation for (2S)-2-[2-oxo-2-(2-pyridin-2-ylhydrazinyl)ethoxy]propanoic acid?
The canonical SMILES for (2S)-2-[2-oxo-2-(2-pyridin-2-ylhydrazinyl)ethoxy]propanoic acid is C[C@H](OCC(=O)NNc1ccccn1)C(=O)O.
What is the InChIKey of (2S)-2-[2-oxo-2-(2-pyridin-2-ylhydrazinyl)ethoxy]propanoic acid?
The InChIKey is GBBDIZRTYQYQBO-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-7(10(15)16)17-6-9(14)13-12-8-4-2-3-5-11-8/h2-5,7H,6H2,1H3,(H,11,12)(H,13,14)(H,15,16)/t7-/m0/s1.
What are the key properties of (2S)-2-[2-oxo-2-(2-pyridin-2-ylhydrazinyl)ethoxy]propanoic acid?
(2S)-2-[2-oxo-2-(2-pyridin-2-ylhydrazinyl)ethoxy]propanoic acid has a molecular weight of 239.23 g/mol, XLogP of 0.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-oxo-2-(2-pyridin-2-ylhydrazinyl)ethoxy]propanoic acid is sourced from PubChem (CID 104876174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).