methyl 2-hydrazinyl-2-(3-methoxyphenyl)propanoate;hydrochloride

C11H17ClN2O3 — CID 155757771

IUPACmethyl 2-hydrazinyl-2-(3-methoxyphenyl)propanoate;hydrochloride
SMILESCOC(=O)C(C)(NN)c1cccc(OC)c1.Cl
InChIInChI=1S/C11H16N2O3.ClH/c1-11(13-12,10(14)16-3)8-5-4-6-9(7-8)15-2;/h4-7,13H,12H2,1-3H3;1H
InChIKeyDRUWOAOYPAYLQR-UHFFFAOYSA-N
MW260.72 g/mol
LogP0.97
Rot. Bonds4

About methyl 2-hydrazinyl-2-(3-methoxyphenyl)propanoate;hydrochloride

methyl 2-hydrazinyl-2-(3-methoxyphenyl)propanoate;hydrochloride (PubChem CID 155757771) has the molecular formula C11H17ClN2O3 and a molecular weight of 260.72 g/mol. Its IUPAC name is methyl 2-hydrazinyl-2-(3-methoxyphenyl)propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-hydrazinyl-2-(3-methoxyphenyl)propanoate;hydrochloride
PubChem CID155757771
Molecular FormulaC11H17ClN2O3
Molecular Weight260.72 g/mol
Exact Mass260.09
IUPAC Namemethyl 2-hydrazinyl-2-(3-methoxyphenyl)propanoate;hydrochloride
SMILESCOC(=O)C(C)(NN)c1cccc(OC)c1.Cl
InChIInChI=1S/C11H16N2O3.ClH/c1-11(13-12,10(14)16-3)8-5-4-6-9(7-8)15-2;/h4-7,13H,12H2,1-3H3;1H
InChIKeyDRUWOAOYPAYLQR-UHFFFAOYSA-N
XLogP0.97
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 2-hydrazinyl-2-(3-methoxyphenyl)propanoate;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

methyl 2-hydrazinyl-2-phenylpropanoate
CID 146190262
methyl 2-(3-fluorophenyl)-2-hydrazinylpropanoate
CID 146310495
methyl 2-(cyclopentylamino)-2-(3-methoxyphenyl)propanoate
CID 60998640
methyl 2-(cyclohexylamino)-2-(3-methoxyphenyl)propanoate
CID 60998071
(2R)-3-methoxy-2-(3-methoxyphenyl)-2-methyl-3-oxopropanoic acid
CID 11085823
formaldehyde;2-(3-methoxyphenyl)propan-2-amine
CID 143998972
2-amino-2-(3-methoxyphenyl)propanoic acid
CID 4018837
2-amino-2-(3-methoxyphenyl)propanamide
CID 60795453
2,2,2-tris(3-methoxyphenyl)acetamide
CID 174763658
2-(3-methoxyphenyl)-2-methylpropanedioic acid
CID 83536911
2-bromo-2-(3-methoxyphenyl)propanoic acid
CID 19795685
methyl 2-(3-methoxyphenoxy)-2-methylpropanoate
CID 70830796

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydrazinyl-2-(3-methoxyphenyl)propanoate;hydrochloride?
The IUPAC name of methyl 2-hydrazinyl-2-(3-methoxyphenyl)propanoate;hydrochloride (CID 155757771) is methyl 2-hydrazinyl-2-(3-methoxyphenyl)propanoate;hydrochloride.
What is the SMILES notation for methyl 2-hydrazinyl-2-(3-methoxyphenyl)propanoate;hydrochloride?
The canonical SMILES for methyl 2-hydrazinyl-2-(3-methoxyphenyl)propanoate;hydrochloride is COC(=O)C(C)(NN)c1cccc(OC)c1.Cl.
What is the InChIKey of methyl 2-hydrazinyl-2-(3-methoxyphenyl)propanoate;hydrochloride?
The InChIKey is DRUWOAOYPAYLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3.ClH/c1-11(13-12,10(14)16-3)8-5-4-6-9(7-8)15-2;/h4-7,13H,12H2,1-3H3;1H.
What are the key properties of methyl 2-hydrazinyl-2-(3-methoxyphenyl)propanoate;hydrochloride?
methyl 2-hydrazinyl-2-(3-methoxyphenyl)propanoate;hydrochloride has a molecular weight of 260.72 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydrazinyl-2-(3-methoxyphenyl)propanoate;hydrochloride is sourced from PubChem (CID 155757771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).