2-methyl-2-(pyridin-2-ylmethyl)pentanoic acid

C12H17NO2 — CID 79426104

IUPAC2-methyl-2-(pyridin-2-ylmethyl)pentanoic acid
SMILESCCCC(C)(Cc1ccccn1)C(=O)O
InChIInChI=1S/C12H17NO2/c1-3-7-12(2,11(14)15)9-10-6-4-5-8-13-10/h4-6,8H,3,7,9H2,1-2H3,(H,14,15)
InChIKeyQQVHELXGUVUMIF-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.52
Rot. Bonds5

About 2-methyl-2-(pyridin-2-ylmethyl)pentanoic acid

2-methyl-2-(pyridin-2-ylmethyl)pentanoic acid (PubChem CID 79426104) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-methyl-2-(pyridin-2-ylmethyl)pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-(pyridin-2-ylmethyl)pentanoic acid
PubChem CID79426104
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-methyl-2-(pyridin-2-ylmethyl)pentanoic acid
SMILESCCCC(C)(Cc1ccccn1)C(=O)O
InChIInChI=1S/C12H17NO2/c1-3-7-12(2,11(14)15)9-10-6-4-5-8-13-10/h4-6,8H,3,7,9H2,1-2H3,(H,14,15)
InChIKeyQQVHELXGUVUMIF-UHFFFAOYSA-N
XLogP2.52
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-bis(pyridin-2-ylmethyl)pentanoic acid
CID 67287771
2-[(5-bromo-2-pyridinyl)methyl]-2-methylpentanoic acid
CID 104800667
2-methyl-2-[(2-methylphenyl)methyl]pentanoic acid
CID 62738371
2-methyl-2-(2-pyridin-2-ylethylsulfanyl)propanoic acid
CID 81223611
pyridin-2-ylmethyl 2,2-dimethylpentanoate
CID 3053080
2,2-dimethyl-1-pyridin-2-yloctan-3-one
CID 143251368
2-methyl-2-(2-pyridin-2-ylethylcarbamoylamino)pentanoic acid
CID 61183978
ethane;2-ethylpyridine;propan-2-one
CID 91062133
acetic acid;2-ethylpyridine
CID 70072313
acetic acid;2-propylpyridine;hydrobromide
CID 70094168
2-amino-2-methyl-N-(2-pyridin-2-ylethyl)pentanamide
CID 60846982
2-hydroxy-2-phosphono-3-pyridin-2-ylpropanoic acid
CID 19084753

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(pyridin-2-ylmethyl)pentanoic acid?
The IUPAC name of 2-methyl-2-(pyridin-2-ylmethyl)pentanoic acid (CID 79426104) is 2-methyl-2-(pyridin-2-ylmethyl)pentanoic acid.
What is the SMILES notation for 2-methyl-2-(pyridin-2-ylmethyl)pentanoic acid?
The canonical SMILES for 2-methyl-2-(pyridin-2-ylmethyl)pentanoic acid is CCCC(C)(Cc1ccccn1)C(=O)O.
What is the InChIKey of 2-methyl-2-(pyridin-2-ylmethyl)pentanoic acid?
The InChIKey is QQVHELXGUVUMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-7-12(2,11(14)15)9-10-6-4-5-8-13-10/h4-6,8H,3,7,9H2,1-2H3,(H,14,15).
What are the key properties of 2-methyl-2-(pyridin-2-ylmethyl)pentanoic acid?
2-methyl-2-(pyridin-2-ylmethyl)pentanoic acid has a molecular weight of 207.27 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(pyridin-2-ylmethyl)pentanoic acid is sourced from PubChem (CID 79426104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).