2-[2-[(2-cyclopentyloxyethylamino)methyl]phenyl]acetic acid

C16H23NO3 — CID 115461994

IUPAC2-[2-[(2-cyclopentyloxyethylamino)methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1CNCCOC1CCCC1
InChIInChI=1S/C16H23NO3/c18-16(19)11-13-5-1-2-6-14(13)12-17-9-10-20-15-7-3-4-8-15/h1-2,5-6,15,17H,3-4,7-12H2,(H,18,19)
InChIKeyHKHYBMWCOJUKPN-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.36
Rot. Bonds8

About 2-[2-[(2-cyclopentyloxyethylamino)methyl]phenyl]acetic acid

2-[2-[(2-cyclopentyloxyethylamino)methyl]phenyl]acetic acid (PubChem CID 115461994) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-[2-[(2-cyclopentyloxyethylamino)methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-cyclopentyloxyethylamino)methyl]phenyl]acetic acid
PubChem CID115461994
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-[2-[(2-cyclopentyloxyethylamino)methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1CNCCOC1CCCC1
InChIInChI=1S/C16H23NO3/c18-16(19)11-13-5-1-2-6-14(13)12-17-9-10-20-15-7-3-4-8-15/h1-2,5-6,15,17H,3-4,7-12H2,(H,18,19)
InChIKeyHKHYBMWCOJUKPN-UHFFFAOYSA-N
XLogP2.36
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.36
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

2-[(2-cyclohexyloxyethylamino)methyl]benzoic acid
CID 103251682
2-chloro-6-[(2-cyclopentyloxyethylamino)methyl]phenol
CID 112554358
4-[(2-cyclopentyloxyethylamino)methyl]benzoic acid
CID 63826606
2-chloro-N-(2-cyclopentyloxyethyl)-2-phenylacetamide
CID 63826472
3-[(2-cyclohexyloxyethylamino)methyl]benzoic acid
CID 103251667
2-cyclohexyloxy-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine
CID 63828219
2-(2-cyclohexyloxyethylamino)-1-phenylethanol
CID 55259175
2-[2-[(2-phenylethylamino)methyl]phenyl]acetic acid
CID 115461449
2-[2-[[(2-cyclohexylacetyl)amino]methyl]phenyl]acetic acid
CID 81312083
N-[[2-(2-cyclohexyloxyethoxy)phenyl]methyl]propan-1-amine
CID 62444230
2-amino-N-(2-cycloheptyloxyethyl)-2-phenylacetamide;hydrochloride
CID 119325370
2-cyclohexyloxy-N-[(2,4-difluorophenyl)methyl]ethanamine
CID 55220336

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-cyclopentyloxyethylamino)methyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[(2-cyclopentyloxyethylamino)methyl]phenyl]acetic acid (CID 115461994) is 2-[2-[(2-cyclopentyloxyethylamino)methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(2-cyclopentyloxyethylamino)methyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(2-cyclopentyloxyethylamino)methyl]phenyl]acetic acid is O=C(O)Cc1ccccc1CNCCOC1CCCC1.
What is the InChIKey of 2-[2-[(2-cyclopentyloxyethylamino)methyl]phenyl]acetic acid?
The InChIKey is HKHYBMWCOJUKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c18-16(19)11-13-5-1-2-6-14(13)12-17-9-10-20-15-7-3-4-8-15/h1-2,5-6,15,17H,3-4,7-12H2,(H,18,19).
What are the key properties of 2-[2-[(2-cyclopentyloxyethylamino)methyl]phenyl]acetic acid?
2-[2-[(2-cyclopentyloxyethylamino)methyl]phenyl]acetic acid has a molecular weight of 277.36 g/mol, XLogP of 2.36, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-cyclopentyloxyethylamino)methyl]phenyl]acetic acid is sourced from PubChem (CID 115461994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).