5-[2-(2-methylphenyl)ethylamino]pentanoic acid

C14H21NO2 — CID 103256373

IUPAC5-[2-(2-methylphenyl)ethylamino]pentanoic acid
SMILESCc1ccccc1CCNCCCCC(=O)O
InChIInChI=1S/C14H21NO2/c1-12-6-2-3-7-13(12)9-11-15-10-5-4-8-14(16)17/h2-3,6-7,15H,4-5,8-11H2,1H3,(H,16,17)
InChIKeyCDYLMKXQYXOHFY-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.38
Rot. Bonds8

About 5-[2-(2-methylphenyl)ethylamino]pentanoic acid

5-[2-(2-methylphenyl)ethylamino]pentanoic acid (PubChem CID 103256373) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-[2-(2-methylphenyl)ethylamino]pentanoic acid.

Molecular Properties

Compound Name5-[2-(2-methylphenyl)ethylamino]pentanoic acid
PubChem CID103256373
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name5-[2-(2-methylphenyl)ethylamino]pentanoic acid
SMILESCc1ccccc1CCNCCCCC(=O)O
InChIInChI=1S/C14H21NO2/c1-12-6-2-3-7-13(12)9-11-15-10-5-4-8-14(16)17/h2-3,6-7,15H,4-5,8-11H2,1H3,(H,16,17)
InChIKeyCDYLMKXQYXOHFY-UHFFFAOYSA-N
XLogP2.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.38
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

5-[2-(2-methylphenyl)ethylamino]-5-oxopentanoic acid
CID 78911171
N-methyl-N'-[2-(2-methylphenyl)ethyl]butane-1,4-diamine
CID 115202150
5-[[2-(2-methylphenyl)acetyl]amino]pentanoic acid
CID 62033790
4-[2-(2,3,4-trimethylphenyl)ethylamino]butanoic acid
CID 115218755
3-hydroxy-4-[2-(2-methylphenyl)ethylamino]butanoic acid
CID 103256406
2-methyl-4-[2-(2-methylphenyl)ethylamino]butanoic acid
CID 115220894
4-[2-(2-methylphenyl)ethylamino]pentanoic acid
CID 79762866
4-[4-[(2-methylphenyl)methyl]phenyl]butanoic acid
CID 138459303
5-[3-(N-methylanilino)propylamino]pentanoic acid
CID 103232553
5-[(2,5-dimethylphenyl)methylamino]pentanoic acid
CID 115219012
N-[2-(2-methylphenyl)ethyl]-5-phenylpentanamide
CID 118398399
4-[(2-methylphenyl)methylcarbamoylamino]butanoic acid
CID 28511327

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methylphenyl)ethylamino]pentanoic acid?
The IUPAC name of 5-[2-(2-methylphenyl)ethylamino]pentanoic acid (CID 103256373) is 5-[2-(2-methylphenyl)ethylamino]pentanoic acid.
What is the SMILES notation for 5-[2-(2-methylphenyl)ethylamino]pentanoic acid?
The canonical SMILES for 5-[2-(2-methylphenyl)ethylamino]pentanoic acid is Cc1ccccc1CCNCCCCC(=O)O.
What is the InChIKey of 5-[2-(2-methylphenyl)ethylamino]pentanoic acid?
The InChIKey is CDYLMKXQYXOHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-12-6-2-3-7-13(12)9-11-15-10-5-4-8-14(16)17/h2-3,6-7,15H,4-5,8-11H2,1H3,(H,16,17).
What are the key properties of 5-[2-(2-methylphenyl)ethylamino]pentanoic acid?
5-[2-(2-methylphenyl)ethylamino]pentanoic acid has a molecular weight of 235.33 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methylphenyl)ethylamino]pentanoic acid is sourced from PubChem (CID 103256373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).