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

C13H22N2O4 — CID 81119882

IUPAC(3R)-1-[1-(oxolan-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
SMILESCC(NC(=O)N1CCC[C@@H](C(=O)O)C1)C1CCCO1
InChIInChI=1S/C13H22N2O4/c1-9(11-5-3-7-19-11)14-13(18)15-6-2-4-10(8-15)12(16)17/h9-11H,2-8H2,1H3,(H,14,18)(H,16,17)/t9?,10-,11?/m1/s1
InChIKeyYMWDPFWLVLYQTG-HSOILSAZSA-N
MW270.33 g/mol
LogP1.06
Rot. Bonds3

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

(3R)-1-[1-(oxolan-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid (PubChem CID 81119882) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is (3R)-1-[1-(oxolan-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[1-(oxolan-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
PubChem CID81119882
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name(3R)-1-[1-(oxolan-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
SMILESCC(NC(=O)N1CCC[C@@H](C(=O)O)C1)C1CCCO1
InChIInChI=1S/C13H22N2O4/c1-9(11-5-3-7-19-11)14-13(18)15-6-2-4-10(8-15)12(16)17/h9-11H,2-8H2,1H3,(H,14,18)(H,16,17)/t9?,10-,11?/m1/s1
InChIKeyYMWDPFWLVLYQTG-HSOILSAZSA-N
XLogP1.06
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 ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(oxolan-2-yl)ethyl]-3-pyrrolidin-1-ylazepane-1-carboxamide
CID 75370112
1-(1-cyclopropylethylcarbamoyl)piperidine-3-carboxylic acid
CID 43533691
(3R)-1-(1-cyclohexylethylcarbamoyl)piperidine-3-carboxylic acid
CID 81120508
(3S)-1-[1-(oxolan-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 104876966
(3S)-3-[(4-methylpiperidin-1-yl)methyl]-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]piperidine-1-carboxamide
CID 124777449
tert-butyl N-[(3R)-1-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]piperidin-3-yl]carbamate
CID 124831975
(3R)-1-(but-3-yn-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 104921713
4-(4-fluorophenyl)-N-[1-(oxolan-2-yl)ethyl]piperazine-1-carboxamide
CID 134006673
(3R)-1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 81120052
(3S)-1-(1-cyclopropylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81125514
(3R)-1-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 81120309
1-[1-(oxan-4-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 114115277

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[1-(oxolan-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[1-(oxolan-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid (CID 81119882) is (3R)-1-[1-(oxolan-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[1-(oxolan-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[1-(oxolan-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid is CC(NC(=O)N1CCC[C@@H](C(=O)O)C1)C1CCCO1.
What is the InChIKey of (3R)-1-[1-(oxolan-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid?
The InChIKey is YMWDPFWLVLYQTG-HSOILSAZSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-9(11-5-3-7-19-11)14-13(18)15-6-2-4-10(8-15)12(16)17/h9-11H,2-8H2,1H3,(H,14,18)(H,16,17)/t9?,10-,11?/m1/s1.
What are the key properties of (3R)-1-[1-(oxolan-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid?
(3R)-1-[1-(oxolan-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[1-(oxolan-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 81119882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).