2-[2-[(2-hydroxycyclopentyl)methylamino]ethoxy]benzoic acid

C15H21NO4 — CID 103255159

IUPAC2-[2-[(2-hydroxycyclopentyl)methylamino]ethoxy]benzoic acid
SMILESO=C(O)c1ccccc1OCCNCC1CCCC1O
InChIInChI=1S/C15H21NO4/c17-13-6-3-4-11(13)10-16-8-9-20-14-7-2-1-5-12(14)15(18)19/h1-2,5,7,11,13,16-17H,3-4,6,8-10H2,(H,18,19)
InChIKeyGQEZLKXTJGMQTO-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.51
Rot. Bonds7

About 2-[2-[(2-hydroxycyclopentyl)methylamino]ethoxy]benzoic acid

2-[2-[(2-hydroxycyclopentyl)methylamino]ethoxy]benzoic acid (PubChem CID 103255159) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[2-[(2-hydroxycyclopentyl)methylamino]ethoxy]benzoic acid.

Molecular Properties

Compound Name2-[2-[(2-hydroxycyclopentyl)methylamino]ethoxy]benzoic acid
PubChem CID103255159
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-[2-[(2-hydroxycyclopentyl)methylamino]ethoxy]benzoic acid
SMILESO=C(O)c1ccccc1OCCNCC1CCCC1O
InChIInChI=1S/C15H21NO4/c17-13-6-3-4-11(13)10-16-8-9-20-14-7-2-1-5-12(14)15(18)19/h1-2,5,7,11,13,16-17H,3-4,6,8-10H2,(H,18,19)
InChIKeyGQEZLKXTJGMQTO-UHFFFAOYSA-N
XLogP1.51
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(2-methylcyclopentyl)methylamino]ethoxy]benzoic acid
CID 107419482
2-[2-(2-bicyclo[2.2.1]heptanylmethylamino)ethoxy]benzoic acid
CID 103250950
2-[2-(oxan-4-ylmethylamino)ethoxy]benzoic acid
CID 103250909
2-[2-[(1-methylpiperidin-3-yl)methylamino]ethoxy]benzoic acid
CID 103244398
2-[2-(2-cyclopentylethylamino)ethoxy]benzoic acid
CID 103240030
2-[2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]ethoxy]benzoic acid
CID 103256335
2-[2-(2-phenylethylamino)ethoxy]benzoic acid
CID 103234116
2-(2-cyclobutyloxyethoxy)benzoic acid
CID 62115794
2-[2-(3-methoxypropylamino)ethoxy]benzoic acid
CID 103237137
2-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]ethoxy]benzoic acid
CID 106178113
2-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethoxy]benzoic acid
CID 103239179
2-[2-(but-3-ynylamino)ethoxy]benzoic acid
CID 103251096

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-hydroxycyclopentyl)methylamino]ethoxy]benzoic acid?
The IUPAC name of 2-[2-[(2-hydroxycyclopentyl)methylamino]ethoxy]benzoic acid (CID 103255159) is 2-[2-[(2-hydroxycyclopentyl)methylamino]ethoxy]benzoic acid.
What is the SMILES notation for 2-[2-[(2-hydroxycyclopentyl)methylamino]ethoxy]benzoic acid?
The canonical SMILES for 2-[2-[(2-hydroxycyclopentyl)methylamino]ethoxy]benzoic acid is O=C(O)c1ccccc1OCCNCC1CCCC1O.
What is the InChIKey of 2-[2-[(2-hydroxycyclopentyl)methylamino]ethoxy]benzoic acid?
The InChIKey is GQEZLKXTJGMQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c17-13-6-3-4-11(13)10-16-8-9-20-14-7-2-1-5-12(14)15(18)19/h1-2,5,7,11,13,16-17H,3-4,6,8-10H2,(H,18,19).
What are the key properties of 2-[2-[(2-hydroxycyclopentyl)methylamino]ethoxy]benzoic acid?
2-[2-[(2-hydroxycyclopentyl)methylamino]ethoxy]benzoic acid has a molecular weight of 279.34 g/mol, XLogP of 1.51, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-hydroxycyclopentyl)methylamino]ethoxy]benzoic acid is sourced from PubChem (CID 103255159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).