2-(4-ethoxyphenyl)-2-(pentylamino)acetic acid

C15H23NO3 — CID 82344794

IUPAC2-(4-ethoxyphenyl)-2-(pentylamino)acetic acid
SMILESCCCCCNC(C(=O)O)c1ccc(OCC)cc1
InChIInChI=1S/C15H23NO3/c1-3-5-6-11-16-14(15(17)18)12-7-9-13(10-8-12)19-4-2/h7-10,14,16H,3-6,11H2,1-2H3,(H,17,18)
InChIKeyWWLHPDYKJDYXDC-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.99
Rot. Bonds9

About 2-(4-ethoxyphenyl)-2-(pentylamino)acetic acid

2-(4-ethoxyphenyl)-2-(pentylamino)acetic acid (PubChem CID 82344794) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-2-(pentylamino)acetic acid.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-2-(pentylamino)acetic acid
PubChem CID82344794
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-(4-ethoxyphenyl)-2-(pentylamino)acetic acid
SMILESCCCCCNC(C(=O)O)c1ccc(OCC)cc1
InChIInChI=1S/C15H23NO3/c1-3-5-6-11-16-14(15(17)18)12-7-9-13(10-8-12)19-4-2/h7-10,14,16H,3-6,11H2,1-2H3,(H,17,18)
InChIKeyWWLHPDYKJDYXDC-UHFFFAOYSA-N
XLogP2.99
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.99
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

(2R)-2-(pentylamino)-2-phenylacetic acid
CID 94357515
2-[2-(diethylamino)ethylamino]-2-(4-ethoxyphenyl)acetic acid
CID 60993501
2-(4-ethoxyphenyl)-2-(2-hydroxypropylamino)acetic acid
CID 82344792
2-(butylamino)-2-(4-ethylphenyl)acetic acid
CID 84747252
2-(4-ethoxyphenyl)-2-[(4-methylphenyl)methylamino]acetic acid
CID 82344798
methyl 2-(4-ethoxyphenyl)-2-(3-methoxypropylamino)acetate
CID 82344816
2-(4-propan-2-yloxyphenyl)-2-(propylamino)acetic acid
CID 54932626
2-(3-ethoxyphenyl)-2-(3-methoxypropylamino)acetic acid
CID 84747614
2-(butylamino)-2-(3,4-difluorophenyl)acetic acid
CID 84746692
2-(4-ethoxyphenyl)-2-(pyridin-3-ylmethylamino)acetic acid
CID 82344800
2-(2-hydroxyethylamino)-2-(4-methoxyphenyl)acetic acid
CID 82027139
2-[5-[[carboxy(phenyl)methyl]amino]pentylamino]-2-phenylacetic acid;hydrobromide
CID 54603034

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-2-(pentylamino)acetic acid?
The IUPAC name of 2-(4-ethoxyphenyl)-2-(pentylamino)acetic acid (CID 82344794) is 2-(4-ethoxyphenyl)-2-(pentylamino)acetic acid.
What is the SMILES notation for 2-(4-ethoxyphenyl)-2-(pentylamino)acetic acid?
The canonical SMILES for 2-(4-ethoxyphenyl)-2-(pentylamino)acetic acid is CCCCCNC(C(=O)O)c1ccc(OCC)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-2-(pentylamino)acetic acid?
The InChIKey is WWLHPDYKJDYXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-3-5-6-11-16-14(15(17)18)12-7-9-13(10-8-12)19-4-2/h7-10,14,16H,3-6,11H2,1-2H3,(H,17,18).
What are the key properties of 2-(4-ethoxyphenyl)-2-(pentylamino)acetic acid?
2-(4-ethoxyphenyl)-2-(pentylamino)acetic acid has a molecular weight of 265.35 g/mol, XLogP of 2.99, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-2-(pentylamino)acetic acid is sourced from PubChem (CID 82344794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).