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

C11H21NO2 — CID 42309455

IUPAC(2R)-3-methyl-2-[(3R)-3-methylpiperidin-1-yl]butanoic acid
SMILESCC(C)[C@H](C(=O)O)N1CCC[C@@H](C)C1
InChIInChI=1S/C11H21NO2/c1-8(2)10(11(13)14)12-6-4-5-9(3)7-12/h8-10H,4-7H2,1-3H3,(H,13,14)/t9-,10-/m1/s1
InChIKeySINWHJRWQHMMJS-NXEZZACHSA-N
MW199.29 g/mol
LogP1.83
Rot. Bonds3

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

(2R)-3-methyl-2-[(3R)-3-methylpiperidin-1-yl]butanoic acid (PubChem CID 42309455) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (2R)-3-methyl-2-[(3R)-3-methylpiperidin-1-yl]butanoic acid.

Molecular Properties

Compound Name(2R)-3-methyl-2-[(3R)-3-methylpiperidin-1-yl]butanoic acid
PubChem CID42309455
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(2R)-3-methyl-2-[(3R)-3-methylpiperidin-1-yl]butanoic acid
SMILESCC(C)[C@H](C(=O)O)N1CCC[C@@H](C)C1
InChIInChI=1S/C11H21NO2/c1-8(2)10(11(13)14)12-6-4-5-9(3)7-12/h8-10H,4-7H2,1-3H3,(H,13,14)/t9-,10-/m1/s1
InChIKeySINWHJRWQHMMJS-NXEZZACHSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(3S)-3-methylpiperidin-1-yl]propanoic acid
CID 42307253
(2S)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-3-methylbutanoic acid
CID 42234068
(2S)-3-methyl-2-piperidin-1-ylbutanoic acid
CID 42304661
(2S)-2-(azepan-1-yl)-3-methylbutanoic acid
CID 42309998
2-(3-methylpiperidin-1-yl)butanoic acid
CID 43235109
3-methyl-2-(3-methylpyrrolidin-1-yl)butanehydrazide
CID 63572855
methyl 2-methyl-3-(3-methylpiperidin-1-yl)butanoate
CID 79406800
ethyl 2-(3-methylpiperidin-1-yl)propanoate
CID 25219169
3-methyl-2-(3-propan-2-ylazetidin-1-yl)butanoic acid
CID 79687679
2-(3-azabicyclo[3.1.0]hexan-3-yl)-3-methylbutanoic acid
CID 83817259
2-amino-2-methyl-4-(3-methylpiperidin-1-yl)pentanoic acid
CID 64725193
2-(3-hydroxy-4-methylpyrrolidin-1-yl)-3-methylbutanoic acid
CID 127020427

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-[(3R)-3-methylpiperidin-1-yl]butanoic acid?
The IUPAC name of (2R)-3-methyl-2-[(3R)-3-methylpiperidin-1-yl]butanoic acid (CID 42309455) is (2R)-3-methyl-2-[(3R)-3-methylpiperidin-1-yl]butanoic acid.
What is the SMILES notation for (2R)-3-methyl-2-[(3R)-3-methylpiperidin-1-yl]butanoic acid?
The canonical SMILES for (2R)-3-methyl-2-[(3R)-3-methylpiperidin-1-yl]butanoic acid is CC(C)[C@H](C(=O)O)N1CCC[C@@H](C)C1.
What is the InChIKey of (2R)-3-methyl-2-[(3R)-3-methylpiperidin-1-yl]butanoic acid?
The InChIKey is SINWHJRWQHMMJS-NXEZZACHSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8(2)10(11(13)14)12-6-4-5-9(3)7-12/h8-10H,4-7H2,1-3H3,(H,13,14)/t9-,10-/m1/s1.
What are the key properties of (2R)-3-methyl-2-[(3R)-3-methylpiperidin-1-yl]butanoic acid?
(2R)-3-methyl-2-[(3R)-3-methylpiperidin-1-yl]butanoic acid has a molecular weight of 199.29 g/mol, XLogP of 1.83, 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-[(3R)-3-methylpiperidin-1-yl]butanoic acid is sourced from PubChem (CID 42309455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).