2-amino-2-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]acetic acid

C14H19NO4 — CID 116874328

IUPAC2-amino-2-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]acetic acid
SMILESCOc1cc(C)c(C)cc1C1(C(N)C(=O)O)COC1
InChIInChI=1S/C14H19NO4/c1-8-4-10(11(18-3)5-9(8)2)14(6-19-7-14)12(15)13(16)17/h4-5,12H,6-7,15H2,1-3H3,(H,16,17)
InChIKeyMUVPAQIKMNNFAG-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.99
Rot. Bonds4

About 2-amino-2-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]acetic acid

2-amino-2-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]acetic acid (PubChem CID 116874328) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-amino-2-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]acetic acid
PubChem CID116874328
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-amino-2-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]acetic acid
SMILESCOc1cc(C)c(C)cc1C1(C(N)C(=O)O)COC1
InChIInChI=1S/C14H19NO4/c1-8-4-10(11(18-3)5-9(8)2)14(6-19-7-14)12(15)13(16)17/h4-5,12H,6-7,15H2,1-3H3,(H,16,17)
InChIKeyMUVPAQIKMNNFAG-UHFFFAOYSA-N
XLogP0.99
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-2-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]acetic acid 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

2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]propanoic acid
CID 116872053
2-amino-2-[3-(3-bromo-4-methoxyphenyl)oxetan-3-yl]acetic acid
CID 116874326
ethyl 3-(2-methoxy-4,5-dimethylphenyl)oxetane-3-carboxylate
CID 116875799
2-amino-2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]acetic acid
CID 116874334
2-amino-1-[3-(4,5-dimethoxy-2-methylphenyl)oxetan-3-yl]ethanol
CID 116874500
[1-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]cyclopropyl]methanol
CID 116874726
1-[3-(4,5-dimethoxy-2-methylphenyl)oxetan-3-yl]ethanone
CID 116873741
3-(2-methoxy-4,5-dimethylphenyl)-3-(trifluoromethyl)oxetane
CID 116875861
3-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]propan-1-amine
CID 116870043
[3-[amino-(2,5-dimethoxy-4-methylphenyl)methyl]oxetan-3-yl]methanol
CID 116944822
methyl 2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]acetate
CID 116873446
4-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]butan-2-one
CID 116873901

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]acetic acid?
The IUPAC name of 2-amino-2-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]acetic acid (CID 116874328) is 2-amino-2-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]acetic acid?
The canonical SMILES for 2-amino-2-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]acetic acid is COc1cc(C)c(C)cc1C1(C(N)C(=O)O)COC1.
What is the InChIKey of 2-amino-2-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]acetic acid?
The InChIKey is MUVPAQIKMNNFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-8-4-10(11(18-3)5-9(8)2)14(6-19-7-14)12(15)13(16)17/h4-5,12H,6-7,15H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-2-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]acetic acid?
2-amino-2-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]acetic acid is sourced from PubChem (CID 116874328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).