4-[2-(2-methylphenyl)ethylamino]pentanoic acid

C14H21NO2 — CID 79762866

IUPAC4-[2-(2-methylphenyl)ethylamino]pentanoic acid
SMILESCc1ccccc1CCNC(C)CCC(=O)O
InChIInChI=1S/C14H21NO2/c1-11-5-3-4-6-13(11)9-10-15-12(2)7-8-14(16)17/h3-6,12,15H,7-10H2,1-2H3,(H,16,17)
InChIKeyXWJGSQJPLRITDH-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.38
Rot. Bonds7

About 4-[2-(2-methylphenyl)ethylamino]pentanoic acid

4-[2-(2-methylphenyl)ethylamino]pentanoic acid (PubChem CID 79762866) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-[2-(2-methylphenyl)ethylamino]pentanoic acid.

Molecular Properties

Compound Name4-[2-(2-methylphenyl)ethylamino]pentanoic acid
PubChem CID79762866
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name4-[2-(2-methylphenyl)ethylamino]pentanoic acid
SMILESCc1ccccc1CCNC(C)CCC(=O)O
InChIInChI=1S/C14H21NO2/c1-11-5-3-4-6-13(11)9-10-15-12(2)7-8-14(16)17/h3-6,12,15H,7-10H2,1-2H3,(H,16,17)
InChIKeyXWJGSQJPLRITDH-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-methylphenyl)ethyl]-1-methylsulfonylpropan-2-amine
CID 79763044
4-methoxy-4-methyl-N-[2-(2-methylphenyl)ethyl]pentan-2-amine
CID 79763034
5-[2-(2-methylphenyl)ethylamino]pentanoic acid
CID 103256373
5-[2-(2-methylphenyl)ethylamino]-5-oxopentanoic acid
CID 78911171
2-methyl-4-[2-(2-methylphenyl)ethylamino]butanoic acid
CID 115220894
4-[2-[2-(2-methylphenyl)ethylamino]propyl]phenol
CID 115494436
(2R)-2-chloro-N-[2-(2-methylphenyl)ethyl]propanamide
CID 51921905
2-cyclopropyl-2-[2-(2-methylphenyl)ethylamino]acetic acid
CID 103256389
3-[1-(2-methylphenyl)ethylamino]propanoic acid
CID 43087225
1-methyl-3-[2-(2-methylphenyl)ethyl]-1-(1-phenylethyl)urea
CID 18144066
ethyl 4-(2-phenylethylamino)pentanoate
CID 67423841
3-[4-(3-methylphenyl)butan-2-ylamino]propanoic acid
CID 61171891

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methylphenyl)ethylamino]pentanoic acid?
The IUPAC name of 4-[2-(2-methylphenyl)ethylamino]pentanoic acid (CID 79762866) is 4-[2-(2-methylphenyl)ethylamino]pentanoic acid.
What is the SMILES notation for 4-[2-(2-methylphenyl)ethylamino]pentanoic acid?
The canonical SMILES for 4-[2-(2-methylphenyl)ethylamino]pentanoic acid is Cc1ccccc1CCNC(C)CCC(=O)O.
What is the InChIKey of 4-[2-(2-methylphenyl)ethylamino]pentanoic acid?
The InChIKey is XWJGSQJPLRITDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11-5-3-4-6-13(11)9-10-15-12(2)7-8-14(16)17/h3-6,12,15H,7-10H2,1-2H3,(H,16,17).
What are the key properties of 4-[2-(2-methylphenyl)ethylamino]pentanoic acid?
4-[2-(2-methylphenyl)ethylamino]pentanoic acid has a molecular weight of 235.33 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methylphenyl)ethylamino]pentanoic acid is sourced from PubChem (CID 79762866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).