(2S)-2-methyl-5-oxopiperidine-1,2-dicarboxylic acid

C8H11NO5 — CID 91509237

IUPAC(2S)-2-methyl-5-oxopiperidine-1,2-dicarboxylic acid
SMILESC[C@@]1(C(=O)O)CCC(=O)CN1C(=O)O
InChIInChI=1S/C8H11NO5/c1-8(6(11)12)3-2-5(10)4-9(8)7(13)14/h2-4H2,1H3,(H,11,12)(H,13,14)/t8-/m0/s1
InChIKeyLGIXALDJXZXIMZ-QMMMGPOBSA-N
MW201.18 g/mol
LogP0.17
Rot. Bonds1

About (2S)-2-methyl-5-oxopiperidine-1,2-dicarboxylic acid

(2S)-2-methyl-5-oxopiperidine-1,2-dicarboxylic acid (PubChem CID 91509237) has the molecular formula C8H11NO5 and a molecular weight of 201.18 g/mol. Its IUPAC name is (2S)-2-methyl-5-oxopiperidine-1,2-dicarboxylic acid.

Molecular Properties

Compound Name(2S)-2-methyl-5-oxopiperidine-1,2-dicarboxylic acid
PubChem CID91509237
Molecular FormulaC8H11NO5
Molecular Weight201.18 g/mol
Exact Mass201.06
IUPAC Name(2S)-2-methyl-5-oxopiperidine-1,2-dicarboxylic acid
SMILESC[C@@]1(C(=O)O)CCC(=O)CN1C(=O)O
InChIInChI=1S/C8H11NO5/c1-8(6(11)12)3-2-5(10)4-9(8)7(13)14/h2-4H2,1H3,(H,11,12)(H,13,14)/t8-/m0/s1
InChIKeyLGIXALDJXZXIMZ-QMMMGPOBSA-N
XLogP0.17
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-5-oxopiperidine-1,2-dicarboxylic acid?
The IUPAC name of (2S)-2-methyl-5-oxopiperidine-1,2-dicarboxylic acid (CID 91509237) is (2S)-2-methyl-5-oxopiperidine-1,2-dicarboxylic acid.
What is the SMILES notation for (2S)-2-methyl-5-oxopiperidine-1,2-dicarboxylic acid?
The canonical SMILES for (2S)-2-methyl-5-oxopiperidine-1,2-dicarboxylic acid is C[C@@]1(C(=O)O)CCC(=O)CN1C(=O)O.
What is the InChIKey of (2S)-2-methyl-5-oxopiperidine-1,2-dicarboxylic acid?
The InChIKey is LGIXALDJXZXIMZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H11NO5/c1-8(6(11)12)3-2-5(10)4-9(8)7(13)14/h2-4H2,1H3,(H,11,12)(H,13,14)/t8-/m0/s1.
What are the key properties of (2S)-2-methyl-5-oxopiperidine-1,2-dicarboxylic acid?
(2S)-2-methyl-5-oxopiperidine-1,2-dicarboxylic acid has a molecular weight of 201.18 g/mol, XLogP of 0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-5-oxopiperidine-1,2-dicarboxylic acid is sourced from PubChem (CID 91509237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).