4-[2-(4-aminophenyl)ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid

C14H20N2O3 — CID 118387207

IUPAC4-[2-(4-aminophenyl)ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
SMILESCC1(C)OCC(CCc2ccc(N)cc2)N1C(=O)O
InChIInChI=1S/C14H20N2O3/c1-14(2)16(13(17)18)12(9-19-14)8-5-10-3-6-11(15)7-4-10/h3-4,6-7,12H,5,8-9,15H2,1-2H3,(H,17,18)
InChIKeyBKRSYWNRZLWUSK-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.32
Rot. Bonds3

About 4-[2-(4-aminophenyl)ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid

4-[2-(4-aminophenyl)ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid (PubChem CID 118387207) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-[2-(4-aminophenyl)ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-(4-aminophenyl)ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
PubChem CID118387207
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-[2-(4-aminophenyl)ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
SMILESCC1(C)OCC(CCc2ccc(N)cc2)N1C(=O)O
InChIInChI=1S/C14H20N2O3/c1-14(2)16(13(17)18)12(9-19-14)8-5-10-3-6-11(15)7-4-10/h3-4,6-7,12H,5,8-9,15H2,1-2H3,(H,17,18)
InChIKeyBKRSYWNRZLWUSK-UHFFFAOYSA-N
XLogP2.32
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[2-(4-aminophenyl)ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid 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 4-[2-(4-aminophenyl)ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The IUPAC name of 4-[2-(4-aminophenyl)ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid (CID 118387207) is 4-[2-(4-aminophenyl)ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid.
What is the SMILES notation for 4-[2-(4-aminophenyl)ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The canonical SMILES for 4-[2-(4-aminophenyl)ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid is CC1(C)OCC(CCc2ccc(N)cc2)N1C(=O)O.
What is the InChIKey of 4-[2-(4-aminophenyl)ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The InChIKey is BKRSYWNRZLWUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(2)16(13(17)18)12(9-19-14)8-5-10-3-6-11(15)7-4-10/h3-4,6-7,12H,5,8-9,15H2,1-2H3,(H,17,18).
What are the key properties of 4-[2-(4-aminophenyl)ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
4-[2-(4-aminophenyl)ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-aminophenyl)ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid is sourced from PubChem (CID 118387207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).