2-[2-[cyclopropyl(2-hydroxyethyl)amino]ethoxy]benzoic acid

C14H19NO4 — CID 54994962

IUPAC2-[2-[cyclopropyl(2-hydroxyethyl)amino]ethoxy]benzoic acid
SMILESO=C(O)c1ccccc1OCCN(CCO)C1CC1
InChIInChI=1S/C14H19NO4/c16-9-7-15(11-5-6-11)8-10-19-13-4-2-1-3-12(13)14(17)18/h1-4,11,16H,5-10H2,(H,17,18)
InChIKeySEDDCELUDTXSGK-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.22
Rot. Bonds8

About 2-[2-[cyclopropyl(2-hydroxyethyl)amino]ethoxy]benzoic acid

2-[2-[cyclopropyl(2-hydroxyethyl)amino]ethoxy]benzoic acid (PubChem CID 54994962) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[2-[cyclopropyl(2-hydroxyethyl)amino]ethoxy]benzoic acid.

Molecular Properties

Compound Name2-[2-[cyclopropyl(2-hydroxyethyl)amino]ethoxy]benzoic acid
PubChem CID54994962
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[2-[cyclopropyl(2-hydroxyethyl)amino]ethoxy]benzoic acid
SMILESO=C(O)c1ccccc1OCCN(CCO)C1CC1
InChIInChI=1S/C14H19NO4/c16-9-7-15(11-5-6-11)8-10-19-13-4-2-1-3-12(13)14(17)18/h1-4,11,16H,5-10H2,(H,17,18)
InChIKeySEDDCELUDTXSGK-UHFFFAOYSA-N
XLogP1.22
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[2-[cyclopropyl(ethyl)amino]ethoxy]phenyl]ethanone
CID 43426605
2-[2-(2-chlorophenoxy)ethyl-cyclopentylamino]ethanol
CID 62014085
2-(16-hydroxyhexadecoxy)benzoic acid
CID 139706131
2-[3-[methyl-(1-methylpiperidin-4-yl)amino]propoxy]benzoic acid
CID 22683833
2-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethoxy]benzoic acid
CID 63866226
2-[2-[(1,1-dioxothiolan-3-yl)-methylamino]ethoxy]benzoic acid
CID 20993517
2-[[2-hydroxyethyl(methyl)amino]methoxy]benzoic acid
CID 20985961
2-[2-[cyclopentyl(ethyl)amino]ethoxy]benzohydrazide
CID 63574053
2-[2-[2-(2-carboxyphenoxy)ethoxy]ethoxy]benzoic acid
CID 2215647
2-[cyclopropyl-[2-(2,6-dichlorophenoxy)ethyl]amino]ethanol
CID 60774461
2-(2-cyclobutyloxyethoxy)benzoic acid
CID 62115794
2-[2-[1-hydroxypropan-2-yl(methyl)amino]ethoxy]benzoic acid
CID 104552539

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropyl(2-hydroxyethyl)amino]ethoxy]benzoic acid?
The IUPAC name of 2-[2-[cyclopropyl(2-hydroxyethyl)amino]ethoxy]benzoic acid (CID 54994962) is 2-[2-[cyclopropyl(2-hydroxyethyl)amino]ethoxy]benzoic acid.
What is the SMILES notation for 2-[2-[cyclopropyl(2-hydroxyethyl)amino]ethoxy]benzoic acid?
The canonical SMILES for 2-[2-[cyclopropyl(2-hydroxyethyl)amino]ethoxy]benzoic acid is O=C(O)c1ccccc1OCCN(CCO)C1CC1.
What is the InChIKey of 2-[2-[cyclopropyl(2-hydroxyethyl)amino]ethoxy]benzoic acid?
The InChIKey is SEDDCELUDTXSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c16-9-7-15(11-5-6-11)8-10-19-13-4-2-1-3-12(13)14(17)18/h1-4,11,16H,5-10H2,(H,17,18).
What are the key properties of 2-[2-[cyclopropyl(2-hydroxyethyl)amino]ethoxy]benzoic acid?
2-[2-[cyclopropyl(2-hydroxyethyl)amino]ethoxy]benzoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropyl(2-hydroxyethyl)amino]ethoxy]benzoic acid is sourced from PubChem (CID 54994962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).