(2R)-3-methyl-2-[(2R)-2-methylpiperidin-1-yl]butanoic acid

C11H21NO2 — CID 124824394

IUPAC(2R)-3-methyl-2-[(2R)-2-methylpiperidin-1-yl]butanoic acid
SMILESCC(C)[C@H](C(=O)O)N1CCCC[C@H]1C
InChIInChI=1S/C11H21NO2/c1-8(2)10(11(13)14)12-7-5-4-6-9(12)3/h8-10H,4-7H2,1-3H3,(H,13,14)/t9-,10-/m1/s1
InChIKeyPRTKTOFWMXRGDP-NXEZZACHSA-N
MW199.29 g/mol
LogP1.97
Rot. Bonds3

About (2R)-3-methyl-2-[(2R)-2-methylpiperidin-1-yl]butanoic acid

(2R)-3-methyl-2-[(2R)-2-methylpiperidin-1-yl]butanoic acid (PubChem CID 124824394) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (2R)-3-methyl-2-[(2R)-2-methylpiperidin-1-yl]butanoic acid.

Molecular Properties

Compound Name(2R)-3-methyl-2-[(2R)-2-methylpiperidin-1-yl]butanoic acid
PubChem CID124824394
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(2R)-3-methyl-2-[(2R)-2-methylpiperidin-1-yl]butanoic acid
SMILESCC(C)[C@H](C(=O)O)N1CCCC[C@H]1C
InChIInChI=1S/C11H21NO2/c1-8(2)10(11(13)14)12-7-5-4-6-9(12)3/h8-10H,4-7H2,1-3H3,(H,13,14)/t9-,10-/m1/s1
InChIKeyPRTKTOFWMXRGDP-NXEZZACHSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylbutanoic acid
CID 61407625
3-amino-2-(2-methylazepan-1-yl)propanoic acid
CID 64693147
(2R)-2-[(2R)-2-methylpiperidin-1-yl]propanehydrazide
CID 124835817
2-methyl-1-propan-2-ylazepane
CID 66910895
ethane;2-methyl-1-propan-2-ylpiperidine
CID 143195459
(2R)-2-[(2R)-2-methylpiperidin-1-yl]-2-phenylacetic acid
CID 1091381
(2S)-3-methyl-2-piperidin-1-ylbutanoic acid
CID 42304661
(2S)-2-(azepan-1-yl)-3-methylbutanoic acid
CID 42309998
2-(2-methylpiperidin-1-yl)propan-1-ol
CID 44827710
3-amino-4-methyl-2-(2-methylpiperidin-1-yl)pentan-1-ol
CID 114356424
N-(3-amino-4-chlorophenyl)-3-methyl-2-(2-methylpiperidin-1-yl)butanamide
CID 82224817
methyl 3-(2-methylpiperidin-1-yl)butanoate
CID 43537243

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-[(2R)-2-methylpiperidin-1-yl]butanoic acid?
The IUPAC name of (2R)-3-methyl-2-[(2R)-2-methylpiperidin-1-yl]butanoic acid (CID 124824394) is (2R)-3-methyl-2-[(2R)-2-methylpiperidin-1-yl]butanoic acid.
What is the SMILES notation for (2R)-3-methyl-2-[(2R)-2-methylpiperidin-1-yl]butanoic acid?
The canonical SMILES for (2R)-3-methyl-2-[(2R)-2-methylpiperidin-1-yl]butanoic acid is CC(C)[C@H](C(=O)O)N1CCCC[C@H]1C.
What is the InChIKey of (2R)-3-methyl-2-[(2R)-2-methylpiperidin-1-yl]butanoic acid?
The InChIKey is PRTKTOFWMXRGDP-NXEZZACHSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8(2)10(11(13)14)12-7-5-4-6-9(12)3/h8-10H,4-7H2,1-3H3,(H,13,14)/t9-,10-/m1/s1.
What are the key properties of (2R)-3-methyl-2-[(2R)-2-methylpiperidin-1-yl]butanoic acid?
(2R)-3-methyl-2-[(2R)-2-methylpiperidin-1-yl]butanoic acid has a molecular weight of 199.29 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-[(2R)-2-methylpiperidin-1-yl]butanoic acid is sourced from PubChem (CID 124824394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).