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

C17H21NO3 — CID 107126335

IUPAC(2S)-1-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCCN1C(=O)C1CCc2ccccc2C1
InChIInChI=1S/C17H21NO3/c19-16(18-10-4-3-7-15(18)17(20)21)14-9-8-12-5-1-2-6-13(12)11-14/h1-2,5-6,14-15H,3-4,7-11H2,(H,20,21)/t14?,15-/m0/s1
InChIKeyQQFZEIGJYXIBSH-LOACHALJSA-N
MW287.36 g/mol
LogP2.26
Rot. Bonds2

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

(2S)-1-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)piperidine-2-carboxylic acid (PubChem CID 107126335) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is (2S)-1-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)piperidine-2-carboxylic acid
PubChem CID107126335
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name(2S)-1-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCCN1C(=O)C1CCc2ccccc2C1
InChIInChI=1S/C17H21NO3/c19-16(18-10-4-3-7-15(18)17(20)21)14-9-8-12-5-1-2-6-13(12)11-14/h1-2,5-6,14-15H,3-4,7-11H2,(H,20,21)/t14?,15-/m0/s1
InChIKeyQQFZEIGJYXIBSH-LOACHALJSA-N
XLogP2.26
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)piperidine-2-carboxylic acid (CID 107126335) is (2S)-1-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)piperidine-2-carboxylic acid is O=C(O)[C@@H]1CCCCN1C(=O)C1CCc2ccccc2C1.
What is the InChIKey of (2S)-1-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is QQFZEIGJYXIBSH-LOACHALJSA-N. The full InChI is InChI=1S/C17H21NO3/c19-16(18-10-4-3-7-15(18)17(20)21)14-9-8-12-5-1-2-6-13(12)11-14/h1-2,5-6,14-15H,3-4,7-11H2,(H,20,21)/t14?,15-/m0/s1.
What are the key properties of (2S)-1-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)piperidine-2-carboxylic acid?
(2S)-1-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 287.36 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 107126335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).