4-methyl-2-(2-pyridin-3-ylethyl)pentanoic acid

C13H19NO2 — CID 79425331

IUPAC4-methyl-2-(2-pyridin-3-ylethyl)pentanoic acid
SMILESCC(C)CC(CCc1cccnc1)C(=O)O
InChIInChI=1S/C13H19NO2/c1-10(2)8-12(13(15)16)6-5-11-4-3-7-14-9-11/h3-4,7,9-10,12H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyFLWAMXTTZZKGMB-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.76
Rot. Bonds6

About 4-methyl-2-(2-pyridin-3-ylethyl)pentanoic acid

4-methyl-2-(2-pyridin-3-ylethyl)pentanoic acid (PubChem CID 79425331) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-methyl-2-(2-pyridin-3-ylethyl)pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-(2-pyridin-3-ylethyl)pentanoic acid
PubChem CID79425331
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name4-methyl-2-(2-pyridin-3-ylethyl)pentanoic acid
SMILESCC(C)CC(CCc1cccnc1)C(=O)O
InChIInChI=1S/C13H19NO2/c1-10(2)8-12(13(15)16)6-5-11-4-3-7-14-9-11/h3-4,7,9-10,12H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyFLWAMXTTZZKGMB-UHFFFAOYSA-N
XLogP2.76
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-pyridin-3-ylbutanoic acid
CID 79004008
2-[(2-methylphenyl)methyl]-4-pyridin-3-ylbutanoic acid
CID 79418739
4-pyridin-3-ylbutan-2-ylcarbamic acid
CID 146273639
2-amino-4-methyl-N-(2-pyridin-3-ylethyl)pentanamide
CID 60913916
(2S)-5-pyridin-3-ylpentan-2-ol
CID 10899042
7-methyl-1-pyridin-3-yloctan-4-one
CID 70095682
3-(5-methylhexyl)pyridine
CID 54316004
6-methyl-1-pyridin-3-ylheptan-3-amine
CID 105127244
2-benzyl-4-methylpentanoic acid
CID 15416243
2-[(2-methylphenyl)methyl]-3-pyridin-3-ylpropanoic acid
CID 79418162
N,4-dimethyl-2-(pyridin-3-ylmethylamino)pentanamide
CID 43750569
2-(pyridin-3-ylmethyl)decanoic acid
CID 139906177

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-pyridin-3-ylethyl)pentanoic acid?
The IUPAC name of 4-methyl-2-(2-pyridin-3-ylethyl)pentanoic acid (CID 79425331) is 4-methyl-2-(2-pyridin-3-ylethyl)pentanoic acid.
What is the SMILES notation for 4-methyl-2-(2-pyridin-3-ylethyl)pentanoic acid?
The canonical SMILES for 4-methyl-2-(2-pyridin-3-ylethyl)pentanoic acid is CC(C)CC(CCc1cccnc1)C(=O)O.
What is the InChIKey of 4-methyl-2-(2-pyridin-3-ylethyl)pentanoic acid?
The InChIKey is FLWAMXTTZZKGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10(2)8-12(13(15)16)6-5-11-4-3-7-14-9-11/h3-4,7,9-10,12H,5-6,8H2,1-2H3,(H,15,16).
What are the key properties of 4-methyl-2-(2-pyridin-3-ylethyl)pentanoic acid?
4-methyl-2-(2-pyridin-3-ylethyl)pentanoic acid has a molecular weight of 221.30 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-pyridin-3-ylethyl)pentanoic acid is sourced from PubChem (CID 79425331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).