(2S,3R)-2-(methoxymethyl)-6-oxopiperidine-3-carboxylic acid

C8H13NO4 — CID 90488095

IUPAC(2S,3R)-2-(methoxymethyl)-6-oxopiperidine-3-carboxylic acid
SMILESCOC[C@H]1NC(=O)CC[C@H]1C(=O)O
InChIInChI=1S/C8H13NO4/c1-13-4-6-5(8(11)12)2-3-7(10)9-6/h5-6H,2-4H2,1H3,(H,9,10)(H,11,12)/t5-,6-/m1/s1
InChIKeyZAYZTGVXLZOETQ-PHDIDXHHSA-N
MW187.19 g/mol
LogP-0.39
Rot. Bonds3

About (2S,3R)-2-(methoxymethyl)-6-oxopiperidine-3-carboxylic acid

(2S,3R)-2-(methoxymethyl)-6-oxopiperidine-3-carboxylic acid (PubChem CID 90488095) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is (2S,3R)-2-(methoxymethyl)-6-oxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(2S,3R)-2-(methoxymethyl)-6-oxopiperidine-3-carboxylic acid
PubChem CID90488095
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name(2S,3R)-2-(methoxymethyl)-6-oxopiperidine-3-carboxylic acid
SMILESCOC[C@H]1NC(=O)CC[C@H]1C(=O)O
InChIInChI=1S/C8H13NO4/c1-13-4-6-5(8(11)12)2-3-7(10)9-6/h5-6H,2-4H2,1H3,(H,9,10)(H,11,12)/t5-,6-/m1/s1
InChIKeyZAYZTGVXLZOETQ-PHDIDXHHSA-N
XLogP-0.39
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-(methoxymethyl)-6-oxopiperidine-3-carboxylic acid?
The IUPAC name of (2S,3R)-2-(methoxymethyl)-6-oxopiperidine-3-carboxylic acid (CID 90488095) is (2S,3R)-2-(methoxymethyl)-6-oxopiperidine-3-carboxylic acid.
What is the SMILES notation for (2S,3R)-2-(methoxymethyl)-6-oxopiperidine-3-carboxylic acid?
The canonical SMILES for (2S,3R)-2-(methoxymethyl)-6-oxopiperidine-3-carboxylic acid is COC[C@H]1NC(=O)CC[C@H]1C(=O)O.
What is the InChIKey of (2S,3R)-2-(methoxymethyl)-6-oxopiperidine-3-carboxylic acid?
The InChIKey is ZAYZTGVXLZOETQ-PHDIDXHHSA-N. The full InChI is InChI=1S/C8H13NO4/c1-13-4-6-5(8(11)12)2-3-7(10)9-6/h5-6H,2-4H2,1H3,(H,9,10)(H,11,12)/t5-,6-/m1/s1.
What are the key properties of (2S,3R)-2-(methoxymethyl)-6-oxopiperidine-3-carboxylic acid?
(2S,3R)-2-(methoxymethyl)-6-oxopiperidine-3-carboxylic acid has a molecular weight of 187.19 g/mol, XLogP of -0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-(methoxymethyl)-6-oxopiperidine-3-carboxylic acid is sourced from PubChem (CID 90488095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).