2-[2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]ethoxy]benzoic acid

C17H25NO3 — CID 103256335

IUPAC2-[2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]ethoxy]benzoic acid
SMILESCC1(C)C(CNCCOc2ccccc2C(=O)O)C1(C)C
InChIInChI=1S/C17H25NO3/c1-16(2)14(17(16,3)4)11-18-9-10-21-13-8-6-5-7-12(13)15(19)20/h5-8,14,18H,9-11H2,1-4H3,(H,19,20)
InChIKeyFVLYXHPFFSJAKQ-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.04
Rot. Bonds7

About 2-[2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]ethoxy]benzoic acid

2-[2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]ethoxy]benzoic acid (PubChem CID 103256335) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]ethoxy]benzoic acid.

Molecular Properties

Compound Name2-[2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]ethoxy]benzoic acid
PubChem CID103256335
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name2-[2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]ethoxy]benzoic acid
SMILESCC1(C)C(CNCCOc2ccccc2C(=O)O)C1(C)C
InChIInChI=1S/C17H25NO3/c1-16(2)14(17(16,3)4)11-18-9-10-21-13-8-6-5-7-12(13)15(19)20/h5-8,14,18H,9-11H2,1-4H3,(H,19,20)
InChIKeyFVLYXHPFFSJAKQ-UHFFFAOYSA-N
XLogP3.04
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]ethoxy]benzoic 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-[2-(3-methoxypropylamino)ethoxy]benzoic acid
CID 103237137
2-[2-(oxan-4-ylmethylamino)ethoxy]benzoic acid
CID 103250909
2-phenoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 79357947
2-[2-[(2-methylcyclopentyl)methylamino]ethoxy]benzoic acid
CID 107419482
2-[2-[(2-hydroxycyclopentyl)methylamino]ethoxy]benzoic acid
CID 103255159
2-[2-[(1-methylpiperidin-3-yl)methylamino]ethoxy]benzoic acid
CID 103244398
2-[2-(2-propan-2-yloxyethylamino)ethoxy]benzoic acid
CID 103266487
2-[2-(2-phenylethylamino)ethoxy]benzoic acid
CID 103234116
2-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethoxy]benzoic acid
CID 103239179
2-[2-(tert-butylamino)ethoxy]benzoic acid
CID 103235164
2-[2-(2-bicyclo[2.2.1]heptanylmethylamino)ethoxy]benzoic acid
CID 103250950
2-[2-(but-3-ynylamino)ethoxy]benzoic acid
CID 103251096

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]ethoxy]benzoic acid?
The IUPAC name of 2-[2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]ethoxy]benzoic acid (CID 103256335) is 2-[2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]ethoxy]benzoic acid.
What is the SMILES notation for 2-[2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]ethoxy]benzoic acid?
The canonical SMILES for 2-[2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]ethoxy]benzoic acid is CC1(C)C(CNCCOc2ccccc2C(=O)O)C1(C)C.
What is the InChIKey of 2-[2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]ethoxy]benzoic acid?
The InChIKey is FVLYXHPFFSJAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-16(2)14(17(16,3)4)11-18-9-10-21-13-8-6-5-7-12(13)15(19)20/h5-8,14,18H,9-11H2,1-4H3,(H,19,20).
What are the key properties of 2-[2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]ethoxy]benzoic acid?
2-[2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]ethoxy]benzoic acid has a molecular weight of 291.39 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]ethoxy]benzoic acid is sourced from PubChem (CID 103256335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).