2-(azetidin-1-yl)-2-(4-methoxy-3,5-dimethylphenyl)acetic acid

C14H19NO3 — CID 46996116

IUPAC2-(azetidin-1-yl)-2-(4-methoxy-3,5-dimethylphenyl)acetic acid
SMILESCOc1c(C)cc(C(C(=O)O)N2CCC2)cc1C
InChIInChI=1S/C14H19NO3/c1-9-7-11(8-10(2)13(9)18-3)12(14(16)17)15-5-4-6-15/h7-8,12H,4-6H2,1-3H3,(H,16,17)
InChIKeyVVKDOELHGJKNCN-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.14
Rot. Bonds4

About 2-(azetidin-1-yl)-2-(4-methoxy-3,5-dimethylphenyl)acetic acid

2-(azetidin-1-yl)-2-(4-methoxy-3,5-dimethylphenyl)acetic acid (PubChem CID 46996116) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(azetidin-1-yl)-2-(4-methoxy-3,5-dimethylphenyl)acetic acid.

Molecular Properties

Compound Name2-(azetidin-1-yl)-2-(4-methoxy-3,5-dimethylphenyl)acetic acid
PubChem CID46996116
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-(azetidin-1-yl)-2-(4-methoxy-3,5-dimethylphenyl)acetic acid
SMILESCOc1c(C)cc(C(C(=O)O)N2CCC2)cc1C
InChIInChI=1S/C14H19NO3/c1-9-7-11(8-10(2)13(9)18-3)12(14(16)17)15-5-4-6-15/h7-8,12H,4-6H2,1-3H3,(H,16,17)
InChIKeyVVKDOELHGJKNCN-UHFFFAOYSA-N
XLogP2.14
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(azetidin-1-yl)-2-(4-methoxy-3,5-dimethylphenyl)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

(2S)-2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-(4-methoxy-3,5-dimethylphenyl)acetic acid
CID 97191995
(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylacetic acid
CID 40787042
2-(4-ethylpiperazin-1-yl)-2-(3,4,5-trimethoxyphenyl)acetic acid
CID 83979031
2-(4-amino-3,5-dimethylphenyl)-2-morpholin-4-ylacetic acid
CID 18957404
2-(4-methoxy-3-methylphenyl)-2-piperazin-1-ylacetic acid
CID 55039331
2-(3,5-difluorophenyl)-2-pyrrolidin-1-ylacetic acid
CID 106531817
(2S)-2-(4-phenylpiperazin-1-yl)-2-(3,4,5-trimethoxyphenyl)acetic acid
CID 97200415
(2S)-2-(4-cyclopentylpiperazin-1-yl)-2-(4-methoxy-3-methylphenyl)acetic acid
CID 97203112
2-pyrrolidin-1-yl-2-(2,4,5-trimethoxyphenyl)acetic acid
CID 43803535
(2S)-2-(2,6-dimethoxy-4-methylphenyl)-2-(4-methyl-1,4-diazepan-1-yl)acetic acid
CID 97269412
(2S)-2-(4-methoxy-3-methylphenyl)-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]acetic acid
CID 97208051
(2R)-2-(3,4-dimethylphenyl)-2-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]acetic acid
CID 97206528

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-yl)-2-(4-methoxy-3,5-dimethylphenyl)acetic acid?
The IUPAC name of 2-(azetidin-1-yl)-2-(4-methoxy-3,5-dimethylphenyl)acetic acid (CID 46996116) is 2-(azetidin-1-yl)-2-(4-methoxy-3,5-dimethylphenyl)acetic acid.
What is the SMILES notation for 2-(azetidin-1-yl)-2-(4-methoxy-3,5-dimethylphenyl)acetic acid?
The canonical SMILES for 2-(azetidin-1-yl)-2-(4-methoxy-3,5-dimethylphenyl)acetic acid is COc1c(C)cc(C(C(=O)O)N2CCC2)cc1C.
What is the InChIKey of 2-(azetidin-1-yl)-2-(4-methoxy-3,5-dimethylphenyl)acetic acid?
The InChIKey is VVKDOELHGJKNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-9-7-11(8-10(2)13(9)18-3)12(14(16)17)15-5-4-6-15/h7-8,12H,4-6H2,1-3H3,(H,16,17).
What are the key properties of 2-(azetidin-1-yl)-2-(4-methoxy-3,5-dimethylphenyl)acetic acid?
2-(azetidin-1-yl)-2-(4-methoxy-3,5-dimethylphenyl)acetic acid has a molecular weight of 249.31 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-yl)-2-(4-methoxy-3,5-dimethylphenyl)acetic acid is sourced from PubChem (CID 46996116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).