(3R)-1-[2-(oxolan-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid

C13H22N2O4 — CID 114131749

IUPAC(3R)-1-[2-(oxolan-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)NCCC2CCOC2)C1
InChIInChI=1S/C13H22N2O4/c16-12(17)11-2-1-6-15(8-11)13(18)14-5-3-10-4-7-19-9-10/h10-11H,1-9H2,(H,14,18)(H,16,17)/t10?,11-/m1/s1
InChIKeyMIFBISVDCZLUFP-RRKGBCIJSA-N
MW270.33 g/mol
LogP0.92
Rot. Bonds4

About (3R)-1-[2-(oxolan-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid

(3R)-1-[2-(oxolan-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid (PubChem CID 114131749) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is (3R)-1-[2-(oxolan-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[2-(oxolan-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
PubChem CID114131749
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name(3R)-1-[2-(oxolan-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)NCCC2CCOC2)C1
InChIInChI=1S/C13H22N2O4/c16-12(17)11-2-1-6-15(8-11)13(18)14-5-3-10-4-7-19-9-10/h10-11H,1-9H2,(H,14,18)(H,16,17)/t10?,11-/m1/s1
InChIKeyMIFBISVDCZLUFP-RRKGBCIJSA-N
XLogP0.92
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(2-cyclopentylethylcarbamoyl)piperidine-3-carboxylic acid
CID 81125798
(3R)-1-(2-morpholin-4-ylethylcarbamoyl)piperidine-3-carboxylic acid
CID 81120691
1-[(3-methyloxan-4-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122014061
1-(2-chloroethylcarbamoyl)piperidine-3-carboxylic acid
CID 16769399
1-[2-(carbamoylamino)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 83113986
(3R)-1-[2-(carbamoylamino)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 83114124
(3S)-1-(2-acetamidoethylcarbamoyl)piperidine-3-carboxylic acid
CID 81125266
(3S)-1-(cyclopropylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 81126444
(3R)-1-(but-3-ynylcarbamoyl)piperidine-3-carboxylic acid
CID 81120069
4-[2-(oxolan-3-yl)ethylcarbamoyl]morpholine-3-carboxylic acid
CID 114131758
1-(cyclohexylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 43371699
(3S)-1-(2-methoxyethylcarbamoyl)piperidine-3-carboxylic acid
CID 28512077

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(oxolan-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[2-(oxolan-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid (CID 114131749) is (3R)-1-[2-(oxolan-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[2-(oxolan-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[2-(oxolan-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(C(=O)NCCC2CCOC2)C1.
What is the InChIKey of (3R)-1-[2-(oxolan-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid?
The InChIKey is MIFBISVDCZLUFP-RRKGBCIJSA-N. The full InChI is InChI=1S/C13H22N2O4/c16-12(17)11-2-1-6-15(8-11)13(18)14-5-3-10-4-7-19-9-10/h10-11H,1-9H2,(H,14,18)(H,16,17)/t10?,11-/m1/s1.
What are the key properties of (3R)-1-[2-(oxolan-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid?
(3R)-1-[2-(oxolan-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(oxolan-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 114131749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).