2-amino-2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]acetic acid

C14H19NO4 — CID 116874334

IUPAC2-amino-2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]acetic acid
SMILESCCOc1ccc(C2(C(N)C(=O)O)COC2)cc1C
InChIInChI=1S/C14H19NO4/c1-3-19-11-5-4-10(6-9(11)2)14(7-18-8-14)12(15)13(16)17/h4-6,12H,3,7-8,15H2,1-2H3,(H,16,17)
InChIKeyLLCLFDMLNROEDF-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.07
Rot. Bonds5

About 2-amino-2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]acetic acid

2-amino-2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]acetic acid (PubChem CID 116874334) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-amino-2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]acetic acid
PubChem CID116874334
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-amino-2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]acetic acid
SMILESCCOc1ccc(C2(C(N)C(=O)O)COC2)cc1C
InChIInChI=1S/C14H19NO4/c1-3-19-11-5-4-10(6-9(11)2)14(7-18-8-14)12(15)13(16)17/h4-6,12H,3,7-8,15H2,1-2H3,(H,16,17)
InChIKeyLLCLFDMLNROEDF-UHFFFAOYSA-N
XLogP1.07
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]propanoic acid
CID 116872058
1-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]ethanamine
CID 116869361
2-amino-2-[3-(3-bromo-4-methoxyphenyl)oxetan-3-yl]acetic acid
CID 116874326
1-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]propan-2-one
CID 116873822
1-(4-ethoxy-3-methylphenyl)cyclopropane-1-carboxylic acid
CID 82286246
2-[3-(3,4-dimethylphenyl)oxetan-3-yl]butanoic acid
CID 116875200
2-amino-2-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]acetic acid
CID 116874328
2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]-N-methylethanamine
CID 116869656
2-amino-4-(4-ethoxy-3-methylphenyl)butanoic acid
CID 112518237
2,4-diamino-4-(4-ethoxy-3-methylphenyl)butanoic acid
CID 116942673
3-(aminomethyl)-N-(4-ethoxy-3-methylphenyl)oxetane-3-carboxamide
CID 115185518
1-amino-1-(4-ethoxy-3-methylphenyl)propan-2-one
CID 116859676

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]acetic acid?
The IUPAC name of 2-amino-2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]acetic acid (CID 116874334) is 2-amino-2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]acetic acid?
The canonical SMILES for 2-amino-2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]acetic acid is CCOc1ccc(C2(C(N)C(=O)O)COC2)cc1C.
What is the InChIKey of 2-amino-2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]acetic acid?
The InChIKey is LLCLFDMLNROEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-3-19-11-5-4-10(6-9(11)2)14(7-18-8-14)12(15)13(16)17/h4-6,12H,3,7-8,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]acetic acid?
2-amino-2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]acetic acid is sourced from PubChem (CID 116874334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).