2-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethoxy]benzoic acid

C15H21NO3 — CID 63866226

IUPAC2-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethoxy]benzoic acid
SMILESCC1CC1CN(C)CCOc1ccccc1C(=O)O
InChIInChI=1S/C15H21NO3/c1-11-9-12(11)10-16(2)7-8-19-14-6-4-3-5-13(14)15(17)18/h3-6,11-12H,7-10H2,1-2H3,(H,17,18)
InChIKeyNOXMAZUMQUMUHQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.35
Rot. Bonds7

About 2-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethoxy]benzoic acid

2-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethoxy]benzoic acid (PubChem CID 63866226) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethoxy]benzoic acid.

Molecular Properties

Compound Name2-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethoxy]benzoic acid
PubChem CID63866226
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethoxy]benzoic acid
SMILESCC1CC1CN(C)CCOc1ccccc1C(=O)O
InChIInChI=1S/C15H21NO3/c1-11-9-12(11)10-16(2)7-8-19-14-6-4-3-5-13(14)15(17)18/h3-6,11-12H,7-10H2,1-2H3,(H,17,18)
InChIKeyNOXMAZUMQUMUHQ-UHFFFAOYSA-N
XLogP2.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[3-(dimethylamino)propyl-methylamino]propoxy]benzoic acid
CID 63726897
2-[3-[methyl-(1-methylpiperidin-4-yl)amino]propoxy]benzoic acid
CID 22683833
1-[2-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]ethanone
CID 55125855
2-[2-[cyclopropyl(2-hydroxyethyl)amino]ethoxy]benzoic acid
CID 54994962
2-butoxybenzoic acid;carbonic acid
CID 137455653
2-[2-(3,5-dimethylcyclohexyl)oxyethoxy]benzoic acid
CID 64730959
2-[2-[1-hydroxypropan-2-yl(methyl)amino]ethoxy]benzoic acid
CID 104552539
2-[2-[(1,1-dioxothiolan-3-yl)-methylamino]ethoxy]benzoic acid
CID 20993517
2-pentoxybenzoic acid;hydrochloride
CID 70416265
2-[[2-hydroxyethyl(methyl)amino]methoxy]benzoic acid
CID 20985961
2-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propoxy]benzoic acid
CID 26582010
2-[2-[2-(2-carboxyphenoxy)ethoxy]ethoxy]benzoic acid
CID 2215647

Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethoxy]benzoic acid?
The IUPAC name of 2-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethoxy]benzoic acid (CID 63866226) is 2-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethoxy]benzoic acid.
What is the SMILES notation for 2-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethoxy]benzoic acid?
The canonical SMILES for 2-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethoxy]benzoic acid is CC1CC1CN(C)CCOc1ccccc1C(=O)O.
What is the InChIKey of 2-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethoxy]benzoic acid?
The InChIKey is NOXMAZUMQUMUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11-9-12(11)10-16(2)7-8-19-14-6-4-3-5-13(14)15(17)18/h3-6,11-12H,7-10H2,1-2H3,(H,17,18).
What are the key properties of 2-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethoxy]benzoic acid?
2-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethoxy]benzoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethoxy]benzoic acid is sourced from PubChem (CID 63866226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).