5-(4-methylphenyl)-3-(1H-pyrrol-2-yl)pentanoic acid

C16H19NO2 — CID 112519040

IUPAC5-(4-methylphenyl)-3-(1H-pyrrol-2-yl)pentanoic acid
SMILESCc1ccc(CCC(CC(=O)O)c2ccc[nH]2)cc1
InChIInChI=1S/C16H19NO2/c1-12-4-6-13(7-5-12)8-9-14(11-16(18)19)15-3-2-10-17-15/h2-7,10,14,17H,8-9,11H2,1H3,(H,18,19)
InChIKeyFRHSSAAUHSPHFN-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.51
Rot. Bonds6

About 5-(4-methylphenyl)-3-(1H-pyrrol-2-yl)pentanoic acid

5-(4-methylphenyl)-3-(1H-pyrrol-2-yl)pentanoic acid (PubChem CID 112519040) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 5-(4-methylphenyl)-3-(1H-pyrrol-2-yl)pentanoic acid.

Molecular Properties

Compound Name5-(4-methylphenyl)-3-(1H-pyrrol-2-yl)pentanoic acid
PubChem CID112519040
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name5-(4-methylphenyl)-3-(1H-pyrrol-2-yl)pentanoic acid
SMILESCc1ccc(CCC(CC(=O)O)c2ccc[nH]2)cc1
InChIInChI=1S/C16H19NO2/c1-12-4-6-13(7-5-12)8-9-14(11-16(18)19)15-3-2-10-17-15/h2-7,10,14,17H,8-9,11H2,1H3,(H,18,19)
InChIKeyFRHSSAAUHSPHFN-UHFFFAOYSA-N
XLogP3.51
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-3-amino-5-(4-methylphenyl)pentanoic acid
CID 174696804
(3R)-3,5-diphenylpentanoic acid
CID 821797
3-[[2-(4-methylphenyl)acetyl]amino]-5-phenylpentanoic acid
CID 67359751
4-amino-3-methyl-4-(1H-pyrrol-2-yl)butanoic acid
CID 116938180
N'-[3-(4-methylphenyl)propanoyl]-1H-pyrrole-2-carbohydrazide
CID 78829860
3-(4-methylphenyl)hexanoic acid
CID 23456891
2-[2-[4-[2-(4-methylphenyl)ethyl]phenyl]ethyl]propane-1,3-diol
CID 130315848
3-hydroxy-5-[(4-methylphenyl)methylsulfanyl]pentanoic acid
CID 22388904
(2R)-2-(4-methylphenyl)-4-phenylbutanoic acid
CID 94724465
(2S)-2-[(4-methylphenyl)methylamino]-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 8002682
(2R)-2-acetamido-N-benzyl-2-(1H-pyrrol-2-yl)acetamide
CID 54513185
3-(4-methylphenyl)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28578275

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-3-(1H-pyrrol-2-yl)pentanoic acid?
The IUPAC name of 5-(4-methylphenyl)-3-(1H-pyrrol-2-yl)pentanoic acid (CID 112519040) is 5-(4-methylphenyl)-3-(1H-pyrrol-2-yl)pentanoic acid.
What is the SMILES notation for 5-(4-methylphenyl)-3-(1H-pyrrol-2-yl)pentanoic acid?
The canonical SMILES for 5-(4-methylphenyl)-3-(1H-pyrrol-2-yl)pentanoic acid is Cc1ccc(CCC(CC(=O)O)c2ccc[nH]2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-3-(1H-pyrrol-2-yl)pentanoic acid?
The InChIKey is FRHSSAAUHSPHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-12-4-6-13(7-5-12)8-9-14(11-16(18)19)15-3-2-10-17-15/h2-7,10,14,17H,8-9,11H2,1H3,(H,18,19).
What are the key properties of 5-(4-methylphenyl)-3-(1H-pyrrol-2-yl)pentanoic acid?
5-(4-methylphenyl)-3-(1H-pyrrol-2-yl)pentanoic acid has a molecular weight of 257.33 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-3-(1H-pyrrol-2-yl)pentanoic acid is sourced from PubChem (CID 112519040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).