(2S)-2-methyl-3-[(2S)-2-methylpiperidin-1-yl]propanoic acid

C10H19NO2 — CID 98191086

IUPAC(2S)-2-methyl-3-[(2S)-2-methylpiperidin-1-yl]propanoic acid
SMILESC[C@@H](CN1CCCC[C@@H]1C)C(=O)O
InChIInChI=1S/C10H19NO2/c1-8(10(12)13)7-11-6-4-3-5-9(11)2/h8-9H,3-7H2,1-2H3,(H,12,13)/t8-,9-/m0/s1
InChIKeyXYBWCTWNHKLUSM-IUCAKERBSA-N
MW185.27 g/mol
LogP1.58
Rot. Bonds3

About (2S)-2-methyl-3-[(2S)-2-methylpiperidin-1-yl]propanoic acid

(2S)-2-methyl-3-[(2S)-2-methylpiperidin-1-yl]propanoic acid (PubChem CID 98191086) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (2S)-2-methyl-3-[(2S)-2-methylpiperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-methyl-3-[(2S)-2-methylpiperidin-1-yl]propanoic acid
PubChem CID98191086
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(2S)-2-methyl-3-[(2S)-2-methylpiperidin-1-yl]propanoic acid
SMILESC[C@@H](CN1CCCC[C@@H]1C)C(=O)O
InChIInChI=1S/C10H19NO2/c1-8(10(12)13)7-11-6-4-3-5-9(11)2/h8-9H,3-7H2,1-2H3,(H,12,13)/t8-,9-/m0/s1
InChIKeyXYBWCTWNHKLUSM-IUCAKERBSA-N
XLogP1.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-3-(2-methylpiperidin-1-yl)propanoic acid
CID 63069094
2-(ethylamino)-1-(2-methylazocan-1-yl)pentan-3-one
CID 71154610
(2R)-2-methyl-3-[(2R)-2-methylpiperidin-1-yl]propan-1-ol
CID 51777105
2-methyl-3-(2-methylpiperidin-1-yl)propanimidamide
CID 43367810
(2S)-2-methyl-3-pyrrolidin-1-ylpropanoic acid
CID 51704154
2-(ethylamino)-4-(2-methylpiperidin-1-yl)butanoic acid
CID 63027395
2-methyl-3-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid
CID 55007650
3-(2-methylazepan-1-yl)propane-1,2-diol
CID 82850957
2-methyl-3-(3-methylpyrrolidin-1-yl)propanoic acid
CID 61225596
2-fluoro-3-(2-methylpiperidin-1-yl)propan-1-ol
CID 135391104
2-methyl-1-(2-methylpropyl)piperidine-4-carboxylic acid
CID 106745002
(2-methylpiperidin-1-yl)methanol
CID 67262865

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-3-[(2S)-2-methylpiperidin-1-yl]propanoic acid?
The IUPAC name of (2S)-2-methyl-3-[(2S)-2-methylpiperidin-1-yl]propanoic acid (CID 98191086) is (2S)-2-methyl-3-[(2S)-2-methylpiperidin-1-yl]propanoic acid.
What is the SMILES notation for (2S)-2-methyl-3-[(2S)-2-methylpiperidin-1-yl]propanoic acid?
The canonical SMILES for (2S)-2-methyl-3-[(2S)-2-methylpiperidin-1-yl]propanoic acid is C[C@@H](CN1CCCC[C@@H]1C)C(=O)O.
What is the InChIKey of (2S)-2-methyl-3-[(2S)-2-methylpiperidin-1-yl]propanoic acid?
The InChIKey is XYBWCTWNHKLUSM-IUCAKERBSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8(10(12)13)7-11-6-4-3-5-9(11)2/h8-9H,3-7H2,1-2H3,(H,12,13)/t8-,9-/m0/s1.
What are the key properties of (2S)-2-methyl-3-[(2S)-2-methylpiperidin-1-yl]propanoic acid?
(2S)-2-methyl-3-[(2S)-2-methylpiperidin-1-yl]propanoic acid has a molecular weight of 185.27 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-3-[(2S)-2-methylpiperidin-1-yl]propanoic acid is sourced from PubChem (CID 98191086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).