(2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]piperidine-1-carboxylic acid

C11H17N3O4 — CID 135260646

IUPAC(2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]piperidine-1-carboxylic acid
SMILESCc1nc(CO[C@H]2CCN(C(=O)O)[C@@H](C)C2)no1
InChIInChI=1S/C11H17N3O4/c1-7-5-9(3-4-14(7)11(15)16)17-6-10-12-8(2)18-13-10/h7,9H,3-6H2,1-2H3,(H,15,16)/t7-,9-/m0/s1
InChIKeyBFKFXHNBKXSZJH-CBAPKCEASA-N
MW255.27 g/mol
LogP1.43
Rot. Bonds3

About (2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]piperidine-1-carboxylic acid

(2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]piperidine-1-carboxylic acid (PubChem CID 135260646) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is (2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]piperidine-1-carboxylic acid
PubChem CID135260646
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name(2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]piperidine-1-carboxylic acid
SMILESCc1nc(CO[C@H]2CCN(C(=O)O)[C@@H](C)C2)no1
InChIInChI=1S/C11H17N3O4/c1-7-5-9(3-4-14(7)11(15)16)17-6-10-12-8(2)18-13-10/h7,9H,3-6H2,1-2H3,(H,15,16)/t7-,9-/m0/s1
InChIKeyBFKFXHNBKXSZJH-CBAPKCEASA-N
XLogP1.43
TPSA88.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]piperidine-1-carboxylic acid?
The IUPAC name of (2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]piperidine-1-carboxylic acid (CID 135260646) is (2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]piperidine-1-carboxylic acid.
What is the SMILES notation for (2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]piperidine-1-carboxylic acid?
The canonical SMILES for (2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]piperidine-1-carboxylic acid is Cc1nc(CO[C@H]2CCN(C(=O)O)[C@@H](C)C2)no1.
What is the InChIKey of (2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]piperidine-1-carboxylic acid?
The InChIKey is BFKFXHNBKXSZJH-CBAPKCEASA-N. The full InChI is InChI=1S/C11H17N3O4/c1-7-5-9(3-4-14(7)11(15)16)17-6-10-12-8(2)18-13-10/h7,9H,3-6H2,1-2H3,(H,15,16)/t7-,9-/m0/s1.
What are the key properties of (2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]piperidine-1-carboxylic acid?
(2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]piperidine-1-carboxylic acid has a molecular weight of 255.27 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]piperidine-1-carboxylic acid is sourced from PubChem (CID 135260646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).