4-(3,3-dipropylazetidin-1-yl)-2-methoxybenzoic acid

C17H25NO3 — CID 107209629

IUPAC4-(3,3-dipropylazetidin-1-yl)-2-methoxybenzoic acid
SMILESCCCC1(CCC)CN(c2ccc(C(=O)O)c(OC)c2)C1
InChIInChI=1S/C17H25NO3/c1-4-8-17(9-5-2)11-18(12-17)13-6-7-14(16(19)20)15(10-13)21-3/h6-7,10H,4-5,8-9,11-12H2,1-3H3,(H,19,20)
InChIKeyONDSNZJUBGYLFU-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.80
Rot. Bonds7

About 4-(3,3-dipropylazetidin-1-yl)-2-methoxybenzoic acid

4-(3,3-dipropylazetidin-1-yl)-2-methoxybenzoic acid (PubChem CID 107209629) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-(3,3-dipropylazetidin-1-yl)-2-methoxybenzoic acid.

Molecular Properties

Compound Name4-(3,3-dipropylazetidin-1-yl)-2-methoxybenzoic acid
PubChem CID107209629
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name4-(3,3-dipropylazetidin-1-yl)-2-methoxybenzoic acid
SMILESCCCC1(CCC)CN(c2ccc(C(=O)O)c(OC)c2)C1
InChIInChI=1S/C17H25NO3/c1-4-8-17(9-5-2)11-18(12-17)13-6-7-14(16(19)20)15(10-13)21-3/h6-7,10H,4-5,8-9,11-12H2,1-3H3,(H,19,20)
InChIKeyONDSNZJUBGYLFU-UHFFFAOYSA-N
XLogP3.80
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3,3-dipropylazetidin-1-yl)-2-methoxybenzoic 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-methoxy-4-piperazin-1-ylbenzoic acid
CID 84699390
2-bromo-5-(3,3-diethylazetidin-1-yl)benzoic acid
CID 115297004
4-ethyl-2-methoxybenzoic acid
CID 18687349
4-(5-ethyltetrazol-1-yl)-2-methoxybenzoic acid
CID 107209131
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxybenzoic acid
CID 71252082
7-(4-carbamoyl-3-methoxyphenyl)-4,7-diazaspiro[2.5]octane-4-carboxylic acid
CID 130202850
2-methoxy-4-(4-methylpiperazin-1-yl)benzoyl chloride
CID 142792187
methyl 2-methoxy-4-(4-methylpiperazin-1-yl)benzoate
CID 66996253
1-(3,4-dimethoxyphenyl)-3-methylpyrrolidine-3-carboxylic acid
CID 117013232
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
2-methoxy-4-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzoic acid
CID 168708541

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dipropylazetidin-1-yl)-2-methoxybenzoic acid?
The IUPAC name of 4-(3,3-dipropylazetidin-1-yl)-2-methoxybenzoic acid (CID 107209629) is 4-(3,3-dipropylazetidin-1-yl)-2-methoxybenzoic acid.
What is the SMILES notation for 4-(3,3-dipropylazetidin-1-yl)-2-methoxybenzoic acid?
The canonical SMILES for 4-(3,3-dipropylazetidin-1-yl)-2-methoxybenzoic acid is CCCC1(CCC)CN(c2ccc(C(=O)O)c(OC)c2)C1.
What is the InChIKey of 4-(3,3-dipropylazetidin-1-yl)-2-methoxybenzoic acid?
The InChIKey is ONDSNZJUBGYLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-4-8-17(9-5-2)11-18(12-17)13-6-7-14(16(19)20)15(10-13)21-3/h6-7,10H,4-5,8-9,11-12H2,1-3H3,(H,19,20).
What are the key properties of 4-(3,3-dipropylazetidin-1-yl)-2-methoxybenzoic acid?
4-(3,3-dipropylazetidin-1-yl)-2-methoxybenzoic acid has a molecular weight of 291.39 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dipropylazetidin-1-yl)-2-methoxybenzoic acid is sourced from PubChem (CID 107209629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).