(2S)-1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperidine-2-carboxylic acid

C15H17NO5 — CID 66263820

IUPAC(2S)-1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCCN1C(=O)C1COc2ccccc2O1
InChIInChI=1S/C15H17NO5/c17-14(16-8-4-3-5-10(16)15(18)19)13-9-20-11-6-1-2-7-12(11)21-13/h1-2,6-7,10,13H,3-5,8-9H2,(H,18,19)/t10-,13?/m0/s1
InChIKeyJFUMNEIYWPRRHZ-NKUHCKNESA-N
MW291.30 g/mol
LogP1.29
Rot. Bonds2

About (2S)-1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperidine-2-carboxylic acid

(2S)-1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperidine-2-carboxylic acid (PubChem CID 66263820) has the molecular formula C15H17NO5 and a molecular weight of 291.30 g/mol. Its IUPAC name is (2S)-1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperidine-2-carboxylic acid
PubChem CID66263820
Molecular FormulaC15H17NO5
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name(2S)-1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCCN1C(=O)C1COc2ccccc2O1
InChIInChI=1S/C15H17NO5/c17-14(16-8-4-3-5-10(16)15(18)19)13-9-20-11-6-1-2-7-12(11)21-13/h1-2,6-7,10,13H,3-5,8-9H2,(H,18,19)/t10-,13?/m0/s1
InChIKeyJFUMNEIYWPRRHZ-NKUHCKNESA-N
XLogP1.29
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperidine-2-carboxylic acid (CID 66263820) is (2S)-1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperidine-2-carboxylic acid is O=C(O)[C@@H]1CCCCN1C(=O)C1COc2ccccc2O1.
What is the InChIKey of (2S)-1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is JFUMNEIYWPRRHZ-NKUHCKNESA-N. The full InChI is InChI=1S/C15H17NO5/c17-14(16-8-4-3-5-10(16)15(18)19)13-9-20-11-6-1-2-7-12(11)21-13/h1-2,6-7,10,13H,3-5,8-9H2,(H,18,19)/t10-,13?/m0/s1.
What are the key properties of (2S)-1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperidine-2-carboxylic acid?
(2S)-1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 291.30 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 66263820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).