(2R)-1-ethoxycarbonyl-4,4-dimethylpiperidine-2-carboxylic acid

C11H19NO4 — CID 57186307

IUPAC(2R)-1-ethoxycarbonyl-4,4-dimethylpiperidine-2-carboxylic acid
SMILESCCOC(=O)N1CCC(C)(C)C[C@@H]1C(=O)O
InChIInChI=1S/C11H19NO4/c1-4-16-10(15)12-6-5-11(2,3)7-8(12)9(13)14/h8H,4-7H2,1-3H3,(H,13,14)/t8-/m1/s1
InChIKeyAAHMQTBKTFVHEF-MRVPVSSYSA-N
MW229.28 g/mol
LogP1.72
Rot. Bonds2

About (2R)-1-ethoxycarbonyl-4,4-dimethylpiperidine-2-carboxylic acid

(2R)-1-ethoxycarbonyl-4,4-dimethylpiperidine-2-carboxylic acid (PubChem CID 57186307) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is (2R)-1-ethoxycarbonyl-4,4-dimethylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-ethoxycarbonyl-4,4-dimethylpiperidine-2-carboxylic acid
PubChem CID57186307
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name(2R)-1-ethoxycarbonyl-4,4-dimethylpiperidine-2-carboxylic acid
SMILESCCOC(=O)N1CCC(C)(C)C[C@@H]1C(=O)O
InChIInChI=1S/C11H19NO4/c1-4-16-10(15)12-6-5-11(2,3)7-8(12)9(13)14/h8H,4-7H2,1-3H3,(H,13,14)/t8-/m1/s1
InChIKeyAAHMQTBKTFVHEF-MRVPVSSYSA-N
XLogP1.72
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-ethoxycarbonyl-4,4-dimethylpiperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-ethoxycarbonyl-4,4-dimethylpiperidine-2-carboxylic acid (CID 57186307) is (2R)-1-ethoxycarbonyl-4,4-dimethylpiperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-ethoxycarbonyl-4,4-dimethylpiperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-ethoxycarbonyl-4,4-dimethylpiperidine-2-carboxylic acid is CCOC(=O)N1CCC(C)(C)C[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-ethoxycarbonyl-4,4-dimethylpiperidine-2-carboxylic acid?
The InChIKey is AAHMQTBKTFVHEF-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-4-16-10(15)12-6-5-11(2,3)7-8(12)9(13)14/h8H,4-7H2,1-3H3,(H,13,14)/t8-/m1/s1.
What are the key properties of (2R)-1-ethoxycarbonyl-4,4-dimethylpiperidine-2-carboxylic acid?
(2R)-1-ethoxycarbonyl-4,4-dimethylpiperidine-2-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-ethoxycarbonyl-4,4-dimethylpiperidine-2-carboxylic acid is sourced from PubChem (CID 57186307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).