(2S)-2-methyl-4-morpholin-4-ylpiperidine-1-carboxylic acid

C11H20N2O3 — CID 175187897

IUPAC(2S)-2-methyl-4-morpholin-4-ylpiperidine-1-carboxylic acid
SMILESC[C@H]1CC(N2CCOCC2)CCN1C(=O)O
InChIInChI=1S/C11H20N2O3/c1-9-8-10(2-3-13(9)11(14)15)12-4-6-16-7-5-12/h9-10H,2-8H2,1H3,(H,14,15)/t9-,10?/m0/s1
InChIKeySOKVRHOZCSKHNV-RGURZIINSA-N
MW228.29 g/mol
LogP0.85
Rot. Bonds1

About (2S)-2-methyl-4-morpholin-4-ylpiperidine-1-carboxylic acid

(2S)-2-methyl-4-morpholin-4-ylpiperidine-1-carboxylic acid (PubChem CID 175187897) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is (2S)-2-methyl-4-morpholin-4-ylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-methyl-4-morpholin-4-ylpiperidine-1-carboxylic acid
PubChem CID175187897
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name(2S)-2-methyl-4-morpholin-4-ylpiperidine-1-carboxylic acid
SMILESC[C@H]1CC(N2CCOCC2)CCN1C(=O)O
InChIInChI=1S/C11H20N2O3/c1-9-8-10(2-3-13(9)11(14)15)12-4-6-16-7-5-12/h9-10H,2-8H2,1H3,(H,14,15)/t9-,10?/m0/s1
InChIKeySOKVRHOZCSKHNV-RGURZIINSA-N
XLogP0.85
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-4-morpholin-4-ylpiperidine-1-carboxylic acid?
The IUPAC name of (2S)-2-methyl-4-morpholin-4-ylpiperidine-1-carboxylic acid (CID 175187897) is (2S)-2-methyl-4-morpholin-4-ylpiperidine-1-carboxylic acid.
What is the SMILES notation for (2S)-2-methyl-4-morpholin-4-ylpiperidine-1-carboxylic acid?
The canonical SMILES for (2S)-2-methyl-4-morpholin-4-ylpiperidine-1-carboxylic acid is C[C@H]1CC(N2CCOCC2)CCN1C(=O)O.
What is the InChIKey of (2S)-2-methyl-4-morpholin-4-ylpiperidine-1-carboxylic acid?
The InChIKey is SOKVRHOZCSKHNV-RGURZIINSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-9-8-10(2-3-13(9)11(14)15)12-4-6-16-7-5-12/h9-10H,2-8H2,1H3,(H,14,15)/t9-,10?/m0/s1.
What are the key properties of (2S)-2-methyl-4-morpholin-4-ylpiperidine-1-carboxylic acid?
(2S)-2-methyl-4-morpholin-4-ylpiperidine-1-carboxylic acid has a molecular weight of 228.29 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-4-morpholin-4-ylpiperidine-1-carboxylic acid is sourced from PubChem (CID 175187897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).