(3R)-1-[(2-ethoxy-2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid

C13H24N2O4 — CID 104985172

IUPAC(3R)-1-[(2-ethoxy-2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCCOC(C)(C)CNC(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C13H24N2O4/c1-4-19-13(2,3)9-14-12(18)15-7-5-6-10(8-15)11(16)17/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17)/t10-/m1/s1
InChIKeyBSZZVRKJCVGXBL-SNVBAGLBSA-N
MW272.34 g/mol
LogP1.31
Rot. Bonds5

About (3R)-1-[(2-ethoxy-2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid

(3R)-1-[(2-ethoxy-2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 104985172) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is (3R)-1-[(2-ethoxy-2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[(2-ethoxy-2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID104985172
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name(3R)-1-[(2-ethoxy-2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCCOC(C)(C)CNC(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C13H24N2O4/c1-4-19-13(2,3)9-14-12(18)15-7-5-6-10(8-15)11(16)17/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17)/t10-/m1/s1
InChIKeyBSZZVRKJCVGXBL-SNVBAGLBSA-N
XLogP1.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methoxy-2-methylbutyl)carbamoyl]piperidine-3-carboxylic acid
CID 122016303
(3S)-1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidine-3-carboxylic acid
CID 81126024
1-[(2-cyclobutyl-2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid
CID 122016418
(3S)-1-[(2-methyl-2-methylsulfanylpropyl)carbamoyl]piperidine-3-carboxylic acid
CID 104864513
(3S)-1-(cyclopropylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 81126444
1-(cyclohexylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 43371699
1-[[2-(4-fluorophenyl)-2-methylpropyl]carbamoyl]piperidine-3-carboxylic acid
CID 122000719
(3S)-1-(2-methoxyethylcarbamoyl)piperidine-3-carboxylic acid
CID 28512077
3-[1-[(2-ethoxy-2-methylpropyl)carbamoyl]piperidin-4-yl]propanoic acid
CID 114943570
(3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 28511990
(3S)-1-(2-acetamidoethylcarbamoyl)piperidine-3-carboxylic acid
CID 81125266
1-(2-ethylsulfonylethylcarbamoyl)piperidine-3-carboxylic acid
CID 114111695

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2-ethoxy-2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[(2-ethoxy-2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid (CID 104985172) is (3R)-1-[(2-ethoxy-2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[(2-ethoxy-2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[(2-ethoxy-2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid is CCOC(C)(C)CNC(=O)N1CCC[C@@H](C(=O)O)C1.
What is the InChIKey of (3R)-1-[(2-ethoxy-2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is BSZZVRKJCVGXBL-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-4-19-13(2,3)9-14-12(18)15-7-5-6-10(8-15)11(16)17/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17)/t10-/m1/s1.
What are the key properties of (3R)-1-[(2-ethoxy-2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid?
(3R)-1-[(2-ethoxy-2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 272.34 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2-ethoxy-2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 104985172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).