methyl (2S)-2-hydrazinyl-2-phenylacetate

C9H12N2O2 — CID 55281840

IUPACmethyl (2S)-2-hydrazinyl-2-phenylacetate
SMILESCOC(=O)[C@@H](NN)c1ccccc1
InChIInChI=1S/C9H12N2O2/c1-13-9(12)8(11-10)7-5-3-2-4-6-7/h2-6,8,11H,10H2,1H3/t8-/m0/s1
InChIKeyLNNCEYCVNIZOPN-QMMMGPOBSA-N
MW180.21 g/mol
LogP0.36
Rot. Bonds3

About methyl (2S)-2-hydrazinyl-2-phenylacetate

methyl (2S)-2-hydrazinyl-2-phenylacetate (PubChem CID 55281840) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is methyl (2S)-2-hydrazinyl-2-phenylacetate.

Molecular Properties

Compound Namemethyl (2S)-2-hydrazinyl-2-phenylacetate
PubChem CID55281840
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Namemethyl (2S)-2-hydrazinyl-2-phenylacetate
SMILESCOC(=O)[C@@H](NN)c1ccccc1
InChIInChI=1S/C9H12N2O2/c1-13-9(12)8(11-10)7-5-3-2-4-6-7/h2-6,8,11H,10H2,1H3/t8-/m0/s1
InChIKeyLNNCEYCVNIZOPN-QMMMGPOBSA-N
XLogP0.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 methyl (2S)-2-hydrazinyl-2-phenylacetate?
The IUPAC name of methyl (2S)-2-hydrazinyl-2-phenylacetate (CID 55281840) is methyl (2S)-2-hydrazinyl-2-phenylacetate.
What is the SMILES notation for methyl (2S)-2-hydrazinyl-2-phenylacetate?
The canonical SMILES for methyl (2S)-2-hydrazinyl-2-phenylacetate is COC(=O)[C@@H](NN)c1ccccc1.
What is the InChIKey of methyl (2S)-2-hydrazinyl-2-phenylacetate?
The InChIKey is LNNCEYCVNIZOPN-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-13-9(12)8(11-10)7-5-3-2-4-6-7/h2-6,8,11H,10H2,1H3/t8-/m0/s1.
What are the key properties of methyl (2S)-2-hydrazinyl-2-phenylacetate?
methyl (2S)-2-hydrazinyl-2-phenylacetate has a molecular weight of 180.21 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-hydrazinyl-2-phenylacetate is sourced from PubChem (CID 55281840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).