2-methyl-2-[(2-methylpiperidin-1-yl)methyl]pentanoic acid

C13H25NO2 — CID 62272835

IUPAC2-methyl-2-[(2-methylpiperidin-1-yl)methyl]pentanoic acid
SMILESCCCC(C)(CN1CCCCC1C)C(=O)O
InChIInChI=1S/C13H25NO2/c1-4-8-13(3,12(15)16)10-14-9-6-5-7-11(14)2/h11H,4-10H2,1-3H3,(H,15,16)
InChIKeyYWFXTQYIALYOMJ-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.75
Rot. Bonds5

About 2-methyl-2-[(2-methylpiperidin-1-yl)methyl]pentanoic acid

2-methyl-2-[(2-methylpiperidin-1-yl)methyl]pentanoic acid (PubChem CID 62272835) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-methyl-2-[(2-methylpiperidin-1-yl)methyl]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(2-methylpiperidin-1-yl)methyl]pentanoic acid
PubChem CID62272835
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-methyl-2-[(2-methylpiperidin-1-yl)methyl]pentanoic acid
SMILESCCCC(C)(CN1CCCCC1C)C(=O)O
InChIInChI=1S/C13H25NO2/c1-4-8-13(3,12(15)16)10-14-9-6-5-7-11(14)2/h11H,4-10H2,1-3H3,(H,15,16)
InChIKeyYWFXTQYIALYOMJ-UHFFFAOYSA-N
XLogP2.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-(piperidin-1-ylmethyl)pentanoic acid
CID 62270634
(2S)-2-methyl-2-[(2R)-2-methylpiperidin-1-yl]butanoic acid
CID 124824951
[1-hydroxy-2-(2-methylpiperidin-1-yl)-1-phosphonoethyl]phosphonic acid
CID 22406539
2-amino-2-methyl-3-(2-methylpiperidin-1-yl)propan-1-ol
CID 64795621
1-amino-2-methyl-3-(2-methylpiperidin-1-yl)propan-2-ol
CID 64818768
2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methylpentanoic acid
CID 106589084
3-[(2-methylazepan-1-yl)methyl]pentan-3-amine
CID 79813474
ethanol;(2S)-1-ethyl-2-methylpiperidine
CID 170618464
2,2-dimethyl-3-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid
CID 115428307
2-methyl-1-pentylazepane
CID 134994557
(2S)-2-methyl-3-[(2S)-2-methylpiperidin-1-yl]propanoic acid
CID 98191086
(2-methylpiperidin-1-yl)methanol
CID 67262865

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-methylpiperidin-1-yl)methyl]pentanoic acid?
The IUPAC name of 2-methyl-2-[(2-methylpiperidin-1-yl)methyl]pentanoic acid (CID 62272835) is 2-methyl-2-[(2-methylpiperidin-1-yl)methyl]pentanoic acid.
What is the SMILES notation for 2-methyl-2-[(2-methylpiperidin-1-yl)methyl]pentanoic acid?
The canonical SMILES for 2-methyl-2-[(2-methylpiperidin-1-yl)methyl]pentanoic acid is CCCC(C)(CN1CCCCC1C)C(=O)O.
What is the InChIKey of 2-methyl-2-[(2-methylpiperidin-1-yl)methyl]pentanoic acid?
The InChIKey is YWFXTQYIALYOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-8-13(3,12(15)16)10-14-9-6-5-7-11(14)2/h11H,4-10H2,1-3H3,(H,15,16).
What are the key properties of 2-methyl-2-[(2-methylpiperidin-1-yl)methyl]pentanoic acid?
2-methyl-2-[(2-methylpiperidin-1-yl)methyl]pentanoic acid has a molecular weight of 227.35 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-methylpiperidin-1-yl)methyl]pentanoic acid is sourced from PubChem (CID 62272835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).