(3R,6R)-6-methyl-2-oxopiperidine-3-carboxylate

C7H10NO3- — CID 134954341

IUPAC(3R,6R)-6-methyl-2-oxopiperidine-3-carboxylate
SMILESC[C@@H]1CC[C@@H](C(=O)[O-])C(=O)N1
InChIInChI=1S/C7H11NO3/c1-4-2-3-5(7(10)11)6(9)8-4/h4-5H,2-3H2,1H3,(H,8,9)(H,10,11)/p-1/t4-,5-/m1/s1
InChIKeyNJLJEJJWWGMNFM-RFZPGFLSSA-M
MW156.16 g/mol
LogP-1.35
Rot. Bonds1

About (3R,6R)-6-methyl-2-oxopiperidine-3-carboxylate

(3R,6R)-6-methyl-2-oxopiperidine-3-carboxylate (PubChem CID 134954341) has the molecular formula C7H10NO3- and a molecular weight of 156.16 g/mol. Its IUPAC name is (3R,6R)-6-methyl-2-oxopiperidine-3-carboxylate.

Molecular Properties

Compound Name(3R,6R)-6-methyl-2-oxopiperidine-3-carboxylate
PubChem CID134954341
Molecular FormulaC7H10NO3-
Molecular Weight156.16 g/mol
Exact Mass156.07
IUPAC Name(3R,6R)-6-methyl-2-oxopiperidine-3-carboxylate
SMILESC[C@@H]1CC[C@@H](C(=O)[O-])C(=O)N1
InChIInChI=1S/C7H11NO3/c1-4-2-3-5(7(10)11)6(9)8-4/h4-5H,2-3H2,1H3,(H,8,9)(H,10,11)/p-1/t4-,5-/m1/s1
InChIKeyNJLJEJJWWGMNFM-RFZPGFLSSA-M
XLogP-1.35
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 5-1.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,6R)-6-methyl-2-oxopiperidine-3-carboxylate?
The IUPAC name of (3R,6R)-6-methyl-2-oxopiperidine-3-carboxylate (CID 134954341) is (3R,6R)-6-methyl-2-oxopiperidine-3-carboxylate.
What is the SMILES notation for (3R,6R)-6-methyl-2-oxopiperidine-3-carboxylate?
The canonical SMILES for (3R,6R)-6-methyl-2-oxopiperidine-3-carboxylate is C[C@@H]1CC[C@@H](C(=O)[O-])C(=O)N1.
What is the InChIKey of (3R,6R)-6-methyl-2-oxopiperidine-3-carboxylate?
The InChIKey is NJLJEJJWWGMNFM-RFZPGFLSSA-M. The full InChI is InChI=1S/C7H11NO3/c1-4-2-3-5(7(10)11)6(9)8-4/h4-5H,2-3H2,1H3,(H,8,9)(H,10,11)/p-1/t4-,5-/m1/s1.
What are the key properties of (3R,6R)-6-methyl-2-oxopiperidine-3-carboxylate?
(3R,6R)-6-methyl-2-oxopiperidine-3-carboxylate has a molecular weight of 156.16 g/mol, XLogP of -1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-6-methyl-2-oxopiperidine-3-carboxylate is sourced from PubChem (CID 134954341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).