3-methyl-1-(2-methylpentyl)piperidine-2-carboxylic acid

C13H25NO2 — CID 107072437

IUPAC3-methyl-1-(2-methylpentyl)piperidine-2-carboxylic acid
SMILESCCCC(C)CN1CCCC(C)C1C(=O)O
InChIInChI=1S/C13H25NO2/c1-4-6-10(2)9-14-8-5-7-11(3)12(14)13(15)16/h10-12H,4-9H2,1-3H3,(H,15,16)
InChIKeyLISOSFLGJIOKJK-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.61
Rot. Bonds5

About 3-methyl-1-(2-methylpentyl)piperidine-2-carboxylic acid

3-methyl-1-(2-methylpentyl)piperidine-2-carboxylic acid (PubChem CID 107072437) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-methyl-1-(2-methylpentyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(2-methylpentyl)piperidine-2-carboxylic acid
PubChem CID107072437
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name3-methyl-1-(2-methylpentyl)piperidine-2-carboxylic acid
SMILESCCCC(C)CN1CCCC(C)C1C(=O)O
InChIInChI=1S/C13H25NO2/c1-4-6-10(2)9-14-8-5-7-11(3)12(14)13(15)16/h10-12H,4-9H2,1-3H3,(H,15,16)
InChIKeyLISOSFLGJIOKJK-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(heptan-2-ylamino)-2-oxoethyl]-3-methylpiperidine-2-carboxylic acid
CID 107072116
1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-3-methylpiperidine-2-carboxylic acid
CID 107072174
1-(3-fluoropropyl)-3-methylpiperidine-2-carboxylic acid
CID 107072166
3-methyl-1-pentan-2-ylpyrrolidine-2-carboxylic acid
CID 102787447
1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3-methylpiperidine-2-carboxylic acid
CID 107072460
1-(3-aminohexanoyl)-3-methylpiperidine-2-carboxylic acid
CID 107068723
3-methyl-1-(2-methylbutanoyl)piperidine-2-carboxylic acid
CID 107069721
1-[2-(ethoxycarbonylamino)-2-oxoethyl]-3-methylpiperidine-2-carboxylic acid
CID 107072029
(2R)-2-methyl-1-(2-methylheptyl)pyrrolidine
CID 126694482
1-hept-6-enyl-3-methylpiperidine-2-carboxylic acid
CID 107072525
3-methyl-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperidine-2-carboxylic acid
CID 107072049
1-[cyclopropyl(ethyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071301

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylpentyl)piperidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-(2-methylpentyl)piperidine-2-carboxylic acid (CID 107072437) is 3-methyl-1-(2-methylpentyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(2-methylpentyl)piperidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-(2-methylpentyl)piperidine-2-carboxylic acid is CCCC(C)CN1CCCC(C)C1C(=O)O.
What is the InChIKey of 3-methyl-1-(2-methylpentyl)piperidine-2-carboxylic acid?
The InChIKey is LISOSFLGJIOKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-6-10(2)9-14-8-5-7-11(3)12(14)13(15)16/h10-12H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 3-methyl-1-(2-methylpentyl)piperidine-2-carboxylic acid?
3-methyl-1-(2-methylpentyl)piperidine-2-carboxylic acid has a molecular weight of 227.35 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylpentyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 107072437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).