2-(butylamino)-2-(4-ethylphenyl)acetic acid

C14H21NO2 — CID 84747252

IUPAC2-(butylamino)-2-(4-ethylphenyl)acetic acid
SMILESCCCCNC(C(=O)O)c1ccc(CC)cc1
InChIInChI=1S/C14H21NO2/c1-3-5-10-15-13(14(16)17)12-8-6-11(4-2)7-9-12/h6-9,13,15H,3-5,10H2,1-2H3,(H,16,17)
InChIKeyILMZROHLKDRKPX-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.76
Rot. Bonds7

About 2-(butylamino)-2-(4-ethylphenyl)acetic acid

2-(butylamino)-2-(4-ethylphenyl)acetic acid (PubChem CID 84747252) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(butylamino)-2-(4-ethylphenyl)acetic acid.

Molecular Properties

Compound Name2-(butylamino)-2-(4-ethylphenyl)acetic acid
PubChem CID84747252
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-(butylamino)-2-(4-ethylphenyl)acetic acid
SMILESCCCCNC(C(=O)O)c1ccc(CC)cc1
InChIInChI=1S/C14H21NO2/c1-3-5-10-15-13(14(16)17)12-8-6-11(4-2)7-9-12/h6-9,13,15H,3-5,10H2,1-2H3,(H,16,17)
InChIKeyILMZROHLKDRKPX-UHFFFAOYSA-N
XLogP2.76
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[carboxy-(4-ethylphenyl)methyl]amino]propanoic acid
CID 84747535
(2R)-2-(pentylamino)-2-phenylacetic acid
CID 94357515
2-(4-ethylphenyl)-2-[(4-fluorophenyl)methylamino]acetic acid
CID 84747391
2-(butylamino)-2-(3,4-difluorophenyl)acetic acid
CID 84746692
2-(butylamino)-2-thiophen-3-ylacetic acid
CID 84748440
2-(4-ethylphenyl)-2-(propan-2-ylamino)acetic acid
CID 43754325
methyl 2-(4-ethylphenyl)-2-(propylamino)acetate
CID 60795755
2-(butylamino)-2-phenylacetamide
CID 14569005
2-[5-[[carboxy(phenyl)methyl]amino]pentylamino]-2-phenylacetic acid;hydrobromide
CID 54603034
2-[7-[[carboxy(phenyl)methyl]amino]heptylamino]-2-phenylacetic acid;hydrobromide
CID 54599011
N-[1-(4-ethylphenyl)ethyl]pentan-1-amine
CID 43080427
2-(4-ethylphenyl)-2-[(2-methoxyphenyl)methylamino]acetic acid
CID 84747421

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)-2-(4-ethylphenyl)acetic acid?
The IUPAC name of 2-(butylamino)-2-(4-ethylphenyl)acetic acid (CID 84747252) is 2-(butylamino)-2-(4-ethylphenyl)acetic acid.
What is the SMILES notation for 2-(butylamino)-2-(4-ethylphenyl)acetic acid?
The canonical SMILES for 2-(butylamino)-2-(4-ethylphenyl)acetic acid is CCCCNC(C(=O)O)c1ccc(CC)cc1.
What is the InChIKey of 2-(butylamino)-2-(4-ethylphenyl)acetic acid?
The InChIKey is ILMZROHLKDRKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-5-10-15-13(14(16)17)12-8-6-11(4-2)7-9-12/h6-9,13,15H,3-5,10H2,1-2H3,(H,16,17).
What are the key properties of 2-(butylamino)-2-(4-ethylphenyl)acetic acid?
2-(butylamino)-2-(4-ethylphenyl)acetic acid has a molecular weight of 235.33 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-2-(4-ethylphenyl)acetic acid is sourced from PubChem (CID 84747252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).