(2R,6R)-6-ethyl-1-prop-2-enoxycarbonylpiperidine-2-carboxylic acid

C12H19NO4 — CID 167714721

IUPAC(2R,6R)-6-ethyl-1-prop-2-enoxycarbonylpiperidine-2-carboxylic acid
SMILESC=CCOC(=O)N1[C@H](CC)CCC[C@@H]1C(=O)O
InChIInChI=1S/C12H19NO4/c1-3-8-17-12(16)13-9(4-2)6-5-7-10(13)11(14)15/h3,9-10H,1,4-8H2,2H3,(H,14,15)/t9-,10-/m1/s1
InChIKeyPIQFBXUGFPLZOX-NXEZZACHSA-N
MW241.29 g/mol
LogP2.03
Rot. Bonds4

About (2R,6R)-6-ethyl-1-prop-2-enoxycarbonylpiperidine-2-carboxylic acid

(2R,6R)-6-ethyl-1-prop-2-enoxycarbonylpiperidine-2-carboxylic acid (PubChem CID 167714721) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is (2R,6R)-6-ethyl-1-prop-2-enoxycarbonylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,6R)-6-ethyl-1-prop-2-enoxycarbonylpiperidine-2-carboxylic acid
PubChem CID167714721
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name(2R,6R)-6-ethyl-1-prop-2-enoxycarbonylpiperidine-2-carboxylic acid
SMILESC=CCOC(=O)N1[C@H](CC)CCC[C@@H]1C(=O)O
InChIInChI=1S/C12H19NO4/c1-3-8-17-12(16)13-9(4-2)6-5-7-10(13)11(14)15/h3,9-10H,1,4-8H2,2H3,(H,14,15)/t9-,10-/m1/s1
InChIKeyPIQFBXUGFPLZOX-NXEZZACHSA-N
XLogP2.03
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,6R)-6-ethyl-1-prop-2-enoxycarbonylpiperidine-2-carboxylic acid?
The IUPAC name of (2R,6R)-6-ethyl-1-prop-2-enoxycarbonylpiperidine-2-carboxylic acid (CID 167714721) is (2R,6R)-6-ethyl-1-prop-2-enoxycarbonylpiperidine-2-carboxylic acid.
What is the SMILES notation for (2R,6R)-6-ethyl-1-prop-2-enoxycarbonylpiperidine-2-carboxylic acid?
The canonical SMILES for (2R,6R)-6-ethyl-1-prop-2-enoxycarbonylpiperidine-2-carboxylic acid is C=CCOC(=O)N1[C@H](CC)CCC[C@@H]1C(=O)O.
What is the InChIKey of (2R,6R)-6-ethyl-1-prop-2-enoxycarbonylpiperidine-2-carboxylic acid?
The InChIKey is PIQFBXUGFPLZOX-NXEZZACHSA-N. The full InChI is InChI=1S/C12H19NO4/c1-3-8-17-12(16)13-9(4-2)6-5-7-10(13)11(14)15/h3,9-10H,1,4-8H2,2H3,(H,14,15)/t9-,10-/m1/s1.
What are the key properties of (2R,6R)-6-ethyl-1-prop-2-enoxycarbonylpiperidine-2-carboxylic acid?
(2R,6R)-6-ethyl-1-prop-2-enoxycarbonylpiperidine-2-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-6-ethyl-1-prop-2-enoxycarbonylpiperidine-2-carboxylic acid is sourced from PubChem (CID 167714721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).