5-[2-(4-ethylphenyl)ethyl-methylamino]pentanoic acid

C16H25NO2 — CID 115219149

IUPAC5-[2-(4-ethylphenyl)ethyl-methylamino]pentanoic acid
SMILESCCc1ccc(CCN(C)CCCCC(=O)O)cc1
InChIInChI=1S/C16H25NO2/c1-3-14-7-9-15(10-8-14)11-13-17(2)12-5-4-6-16(18)19/h7-10H,3-6,11-13H2,1-2H3,(H,18,19)
InChIKeyQCVFIAKPRJRMME-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.98
Rot. Bonds9

About 5-[2-(4-ethylphenyl)ethyl-methylamino]pentanoic acid

5-[2-(4-ethylphenyl)ethyl-methylamino]pentanoic acid (PubChem CID 115219149) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 5-[2-(4-ethylphenyl)ethyl-methylamino]pentanoic acid.

Molecular Properties

Compound Name5-[2-(4-ethylphenyl)ethyl-methylamino]pentanoic acid
PubChem CID115219149
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name5-[2-(4-ethylphenyl)ethyl-methylamino]pentanoic acid
SMILESCCc1ccc(CCN(C)CCCCC(=O)O)cc1
InChIInChI=1S/C16H25NO2/c1-3-14-7-9-15(10-8-14)11-13-17(2)12-5-4-6-16(18)19/h7-10H,3-6,11-13H2,1-2H3,(H,18,19)
InChIKeyQCVFIAKPRJRMME-UHFFFAOYSA-N
XLogP2.98
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(4-chlorophenyl)ethyl-methylamino]pentanoic acid
CID 115219153
4-[2-(4-chlorophenyl)ethyl-methylamino]butanoic acid
CID 115218768
methyl 4-[2-(4-ethylphenyl)ethyl-methylamino]butanoate
CID 115233508
5-[benzyl(methyl)amino]pentanoic acid
CID 28972352
3-[3-(4-chlorophenyl)propyl-methylamino]propanoic acid
CID 19776431
3-[4-[[butyl(methyl)amino]methyl]phenyl]propanoic acid
CID 84758649
4-[2-(4-fluoro-3-methylphenyl)ethyl-methylamino]butanoic acid
CID 115218770
3-[(4-ethylbenzoyl)-methylamino]propanoic acid
CID 60989059
3-[3-(4-methoxyphenyl)propyl-methylamino]propanoic acid
CID 19776427
6-[methyl(2-phenylethyl)amino]-6-oxohexanoic acid
CID 23043994
3-[2-(4-ethylphenyl)ethylcarbamoyl-methylamino]propanoic acid
CID 122002816
5-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pentanoic acid
CID 118457380

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-ethylphenyl)ethyl-methylamino]pentanoic acid?
The IUPAC name of 5-[2-(4-ethylphenyl)ethyl-methylamino]pentanoic acid (CID 115219149) is 5-[2-(4-ethylphenyl)ethyl-methylamino]pentanoic acid.
What is the SMILES notation for 5-[2-(4-ethylphenyl)ethyl-methylamino]pentanoic acid?
The canonical SMILES for 5-[2-(4-ethylphenyl)ethyl-methylamino]pentanoic acid is CCc1ccc(CCN(C)CCCCC(=O)O)cc1.
What is the InChIKey of 5-[2-(4-ethylphenyl)ethyl-methylamino]pentanoic acid?
The InChIKey is QCVFIAKPRJRMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-14-7-9-15(10-8-14)11-13-17(2)12-5-4-6-16(18)19/h7-10H,3-6,11-13H2,1-2H3,(H,18,19).
What are the key properties of 5-[2-(4-ethylphenyl)ethyl-methylamino]pentanoic acid?
5-[2-(4-ethylphenyl)ethyl-methylamino]pentanoic acid has a molecular weight of 263.38 g/mol, XLogP of 2.98, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-ethylphenyl)ethyl-methylamino]pentanoic acid is sourced from PubChem (CID 115219149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).