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

C13H22N2O4 — CID 104876966

IUPAC(3S)-1-[1-(oxolan-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
SMILESCC(NC(=O)N1CCC[C@H](C(=O)O)C1)C1CCOC1
InChIInChI=1S/C13H22N2O4/c1-9(11-4-6-19-8-11)14-13(18)15-5-2-3-10(7-15)12(16)17/h9-11H,2-8H2,1H3,(H,14,18)(H,16,17)/t9?,10-,11?/m0/s1
InChIKeyYVICZWRVHPZECA-YVNMAJEFSA-N
MW270.33 g/mol
LogP0.92
Rot. Bonds3

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

(3S)-1-[1-(oxolan-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid (PubChem CID 104876966) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is (3S)-1-[1-(oxolan-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[1-(oxolan-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
PubChem CID104876966
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name(3S)-1-[1-(oxolan-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
SMILESCC(NC(=O)N1CCC[C@H](C(=O)O)C1)C1CCOC1
InChIInChI=1S/C13H22N2O4/c1-9(11-4-6-19-8-11)14-13(18)15-5-2-3-10(7-15)12(16)17/h9-11H,2-8H2,1H3,(H,14,18)(H,16,17)/t9?,10-,11?/m0/s1
InChIKeyYVICZWRVHPZECA-YVNMAJEFSA-N
XLogP0.92
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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

1-(1-cyclopropylethylcarbamoyl)piperidine-3-carboxylic acid
CID 43533691
1-[1-(oxan-4-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 114115277
(3R)-1-(1-cyclohexylethylcarbamoyl)piperidine-3-carboxylic acid
CID 81120508
(3R)-1-[1-(oxolan-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81119882
(3S)-1-(1-cyclopropylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81125514
(3R)-1-(but-3-yn-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 104921713
(3R)-1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 81120052
(3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 28511990
1-[(3-methyloxan-4-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122014061
(3R)-1-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 81120309
(3S)-1-(hexan-3-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81125361
(3S)-1-(1-methylsulfanylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 104863169

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[1-(oxolan-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[1-(oxolan-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid (CID 104876966) is (3S)-1-[1-(oxolan-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[1-(oxolan-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[1-(oxolan-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid is CC(NC(=O)N1CCC[C@H](C(=O)O)C1)C1CCOC1.
What is the InChIKey of (3S)-1-[1-(oxolan-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid?
The InChIKey is YVICZWRVHPZECA-YVNMAJEFSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-9(11-4-6-19-8-11)14-13(18)15-5-2-3-10(7-15)12(16)17/h9-11H,2-8H2,1H3,(H,14,18)(H,16,17)/t9?,10-,11?/m0/s1.
What are the key properties of (3S)-1-[1-(oxolan-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid?
(3S)-1-[1-(oxolan-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[1-(oxolan-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 104876966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).