methyl 2-(3-aminophenyl)-2-hydroxyacetate

C9H11NO3 — CID 14997020

IUPACmethyl 2-(3-aminophenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1cccc(N)c1
InChIInChI=1S/C9H11NO3/c1-13-9(12)8(11)6-3-2-4-7(10)5-6/h2-5,8,11H,10H2,1H3
InChIKeyVASBPDBWVXSWTB-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.48
Rot. Bonds2

About methyl 2-(3-aminophenyl)-2-hydroxyacetate

methyl 2-(3-aminophenyl)-2-hydroxyacetate (PubChem CID 14997020) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is methyl 2-(3-aminophenyl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(3-aminophenyl)-2-hydroxyacetate
PubChem CID14997020
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Namemethyl 2-(3-aminophenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1cccc(N)c1
InChIInChI=1S/C9H11NO3/c1-13-9(12)8(11)6-3-2-4-7(10)5-6/h2-5,8,11H,10H2,1H3
InChIKeyVASBPDBWVXSWTB-UHFFFAOYSA-N
XLogP0.48
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-aminophenyl)-2-hydroxyacetate?
The IUPAC name of methyl 2-(3-aminophenyl)-2-hydroxyacetate (CID 14997020) is methyl 2-(3-aminophenyl)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(3-aminophenyl)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(3-aminophenyl)-2-hydroxyacetate is COC(=O)C(O)c1cccc(N)c1.
What is the InChIKey of methyl 2-(3-aminophenyl)-2-hydroxyacetate?
The InChIKey is VASBPDBWVXSWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-13-9(12)8(11)6-3-2-4-7(10)5-6/h2-5,8,11H,10H2,1H3.
What are the key properties of methyl 2-(3-aminophenyl)-2-hydroxyacetate?
methyl 2-(3-aminophenyl)-2-hydroxyacetate has a molecular weight of 181.19 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-aminophenyl)-2-hydroxyacetate is sourced from PubChem (CID 14997020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).