(2S)-2-methyl-2-[(2R)-2-methylpiperidin-1-yl]butanoic acid

C11H21NO2 — CID 124824951

IUPAC(2S)-2-methyl-2-[(2R)-2-methylpiperidin-1-yl]butanoic acid
SMILESCC[C@@](C)(C(=O)O)N1CCCC[C@H]1C
InChIInChI=1S/C11H21NO2/c1-4-11(3,10(13)14)12-8-6-5-7-9(12)2/h9H,4-8H2,1-3H3,(H,13,14)/t9-,11+/m1/s1
InChIKeySZVRAUQPCWMMOW-KOLCDFICSA-N
MW199.29 g/mol
LogP2.11
Rot. Bonds3

About (2S)-2-methyl-2-[(2R)-2-methylpiperidin-1-yl]butanoic acid

(2S)-2-methyl-2-[(2R)-2-methylpiperidin-1-yl]butanoic acid (PubChem CID 124824951) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (2S)-2-methyl-2-[(2R)-2-methylpiperidin-1-yl]butanoic acid.

Molecular Properties

Compound Name(2S)-2-methyl-2-[(2R)-2-methylpiperidin-1-yl]butanoic acid
PubChem CID124824951
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(2S)-2-methyl-2-[(2R)-2-methylpiperidin-1-yl]butanoic acid
SMILESCC[C@@](C)(C(=O)O)N1CCCC[C@H]1C
InChIInChI=1S/C11H21NO2/c1-4-11(3,10(13)14)12-8-6-5-7-9(12)2/h9H,4-8H2,1-3H3,(H,13,14)/t9-,11+/m1/s1
InChIKeySZVRAUQPCWMMOW-KOLCDFICSA-N
XLogP2.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-methyl-1-(2-methylbutan-2-yl)piperidine
CID 135276968
2-methyl-2-(2-methylpiperidin-1-yl)propanoyl chloride
CID 82040589
2-methyl-2-[(2-methylpiperidin-1-yl)methyl]pentanoic acid
CID 62272835
2-methyl-2-[(2-methylazepane-1-carbonyl)amino]butanoic acid
CID 79801930
2-(2-methylpyrrolidin-1-yl)-2-phenylbutanoic acid
CID 114989653
2-methyl-2-[3-(methylaminomethyl)piperidin-1-yl]butanoic acid
CID 114988645
2-(aminomethyl)-2-ethyl-1-(2-methylpiperidin-1-yl)butan-1-one;hydrochloride
CID 120607933
2-methyl-2-(2-methylpyrrolidin-1-yl)propan-1-ol
CID 104549070
2-methyl-2-[(3R)-3-methyl-4-phenylpiperazin-1-yl]butanoic acid
CID 175473745
2-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 61266922
3-(2,3-dimethylpyrrolidin-1-yl)-3-methylpentan-2-one
CID 130863448
2-hydroxy-2-methyl-1-(2-methylpiperidin-1-yl)propan-1-one
CID 103429254

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-2-[(2R)-2-methylpiperidin-1-yl]butanoic acid?
The IUPAC name of (2S)-2-methyl-2-[(2R)-2-methylpiperidin-1-yl]butanoic acid (CID 124824951) is (2S)-2-methyl-2-[(2R)-2-methylpiperidin-1-yl]butanoic acid.
What is the SMILES notation for (2S)-2-methyl-2-[(2R)-2-methylpiperidin-1-yl]butanoic acid?
The canonical SMILES for (2S)-2-methyl-2-[(2R)-2-methylpiperidin-1-yl]butanoic acid is CC[C@@](C)(C(=O)O)N1CCCC[C@H]1C.
What is the InChIKey of (2S)-2-methyl-2-[(2R)-2-methylpiperidin-1-yl]butanoic acid?
The InChIKey is SZVRAUQPCWMMOW-KOLCDFICSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-11(3,10(13)14)12-8-6-5-7-9(12)2/h9H,4-8H2,1-3H3,(H,13,14)/t9-,11+/m1/s1.
What are the key properties of (2S)-2-methyl-2-[(2R)-2-methylpiperidin-1-yl]butanoic acid?
(2S)-2-methyl-2-[(2R)-2-methylpiperidin-1-yl]butanoic acid has a molecular weight of 199.29 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-2-[(2R)-2-methylpiperidin-1-yl]butanoic acid is sourced from PubChem (CID 124824951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).