4-[(2-cyclopentyloxyethylamino)methyl]benzoic acid

C15H21NO3 — CID 63826606

IUPAC4-[(2-cyclopentyloxyethylamino)methyl]benzoic acid
SMILESO=C(O)c1ccc(CNCCOC2CCCC2)cc1
InChIInChI=1S/C15H21NO3/c17-15(18)13-7-5-12(6-8-13)11-16-9-10-19-14-3-1-2-4-14/h5-8,14,16H,1-4,9-11H2,(H,17,18)
InChIKeySLCLFRKWERWFGJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.43
Rot. Bonds7

About 4-[(2-cyclopentyloxyethylamino)methyl]benzoic acid

4-[(2-cyclopentyloxyethylamino)methyl]benzoic acid (PubChem CID 63826606) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[(2-cyclopentyloxyethylamino)methyl]benzoic acid.

Molecular Properties

Compound Name4-[(2-cyclopentyloxyethylamino)methyl]benzoic acid
PubChem CID63826606
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name4-[(2-cyclopentyloxyethylamino)methyl]benzoic acid
SMILESO=C(O)c1ccc(CNCCOC2CCCC2)cc1
InChIInChI=1S/C15H21NO3/c17-15(18)13-7-5-12(6-8-13)11-16-9-10-19-14-3-1-2-4-14/h5-8,14,16H,1-4,9-11H2,(H,17,18)
InChIKeySLCLFRKWERWFGJ-UHFFFAOYSA-N
XLogP2.43
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-cyclohexyloxyethylamino)methyl]benzoic acid
CID 103251667
4-(2-cyclohexyloxyethylamino)benzoic acid
CID 63827610
2-cyclopentyloxy-N-[(4-cyclopropylphenyl)methyl]ethanamine
CID 79983771
4-[(cyclooctylmethylamino)methyl]benzoic acid
CID 122030513
4-[(4-cyclopentylbutylamino)methyl]benzoic acid
CID 122031644
2-[2-[(2-cyclopentyloxyethylamino)methyl]phenyl]acetic acid
CID 115461994
2-[(2-cyclohexyloxyethylamino)methyl]benzoic acid
CID 103251682
4-[[[4-(oxan-4-yloxymethyl)phenyl]methylamino]methyl]benzoic acid
CID 122032102
3-amino-4-(2-cyclopentyloxyethylamino)benzoic acid
CID 63834095
2-[4-[(2-cyclopentyloxyethylamino)methyl]phenoxy]acetonitrile
CID 63825153
5-[(3-cyclohexyloxypropylamino)methyl]furan-2-carboxylic acid
CID 63317129
4-[(cyclooctylamino)methyl]benzoic acid;hydrochloride
CID 17158513

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclopentyloxyethylamino)methyl]benzoic acid?
The IUPAC name of 4-[(2-cyclopentyloxyethylamino)methyl]benzoic acid (CID 63826606) is 4-[(2-cyclopentyloxyethylamino)methyl]benzoic acid.
What is the SMILES notation for 4-[(2-cyclopentyloxyethylamino)methyl]benzoic acid?
The canonical SMILES for 4-[(2-cyclopentyloxyethylamino)methyl]benzoic acid is O=C(O)c1ccc(CNCCOC2CCCC2)cc1.
What is the InChIKey of 4-[(2-cyclopentyloxyethylamino)methyl]benzoic acid?
The InChIKey is SLCLFRKWERWFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c17-15(18)13-7-5-12(6-8-13)11-16-9-10-19-14-3-1-2-4-14/h5-8,14,16H,1-4,9-11H2,(H,17,18).
What are the key properties of 4-[(2-cyclopentyloxyethylamino)methyl]benzoic acid?
4-[(2-cyclopentyloxyethylamino)methyl]benzoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclopentyloxyethylamino)methyl]benzoic acid is sourced from PubChem (CID 63826606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).