2-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propanoic acid

C14H16N2O3 — CID 116872080

IUPAC2-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propanoic acid
SMILESCc1nc2ccc(C3(C(C)C(=O)O)COC3)cc2[nH]1
InChIInChI=1S/C14H16N2O3/c1-8(13(17)18)14(6-19-7-14)10-3-4-11-12(5-10)16-9(2)15-11/h3-5,8H,6-7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyRWLLRGQPUVGLSV-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.86
Rot. Bonds3

About 2-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propanoic acid

2-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propanoic acid (PubChem CID 116872080) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propanoic acid
PubChem CID116872080
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propanoic acid
SMILESCc1nc2ccc(C3(C(C)C(=O)O)COC3)cc2[nH]1
InChIInChI=1S/C14H16N2O3/c1-8(13(17)18)14(6-19-7-14)10-3-4-11-12(5-10)16-9(2)15-11/h3-5,8H,6-7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyRWLLRGQPUVGLSV-UHFFFAOYSA-N
XLogP1.86
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propanoic 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

3-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propanoic acid
CID 116871956
2-[3-(2-oxo-3H-1,3-benzoxazol-5-yl)oxetan-3-yl]propanoic acid
CID 116872084
1-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propan-2-amine
CID 116869870
4-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]butan-2-amine
CID 116870353
2-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propan-2-amine
CID 116869495
N-methyl-2-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propan-2-amine
CID 116872295
3-(hydroxymethyl)-N-(2-methyl-3H-benzimidazol-5-yl)oxetane-3-carboxamide
CID 115185226
3-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propanenitrile
CID 116873399
2-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]propanoic acid
CID 116872045
methyl 3-[(2-methyl-3H-benzimidazol-5-yl)methyl]oxetane-3-carboxylate
CID 116930258
2-(methylamino)-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-one
CID 82493358
1-[amino-(2-methyl-3H-benzimidazol-5-yl)methyl]cyclobutane-1-carboxylic acid
CID 116944102

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propanoic acid?
The IUPAC name of 2-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propanoic acid (CID 116872080) is 2-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propanoic acid.
What is the SMILES notation for 2-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propanoic acid?
The canonical SMILES for 2-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propanoic acid is Cc1nc2ccc(C3(C(C)C(=O)O)COC3)cc2[nH]1.
What is the InChIKey of 2-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propanoic acid?
The InChIKey is RWLLRGQPUVGLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-8(13(17)18)14(6-19-7-14)10-3-4-11-12(5-10)16-9(2)15-11/h3-5,8H,6-7H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propanoic acid?
2-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propanoic acid has a molecular weight of 260.29 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propanoic acid is sourced from PubChem (CID 116872080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).