(2S)-1-[(2S)-oxolane-2-carbonyl]piperidine-2-carboxylic acid

C11H17NO4 — CID 28819964

IUPAC(2S)-1-[(2S)-oxolane-2-carbonyl]piperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCCN1C(=O)[C@@H]1CCCO1
InChIInChI=1S/C11H17NO4/c13-10(9-5-3-7-16-9)12-6-2-1-4-8(12)11(14)15/h8-9H,1-7H2,(H,14,15)/t8-,9-/m0/s1
InChIKeyGZVXPKKVXAMGPM-IUCAKERBSA-N
MW227.26 g/mol
LogP0.63
Rot. Bonds2

About (2S)-1-[(2S)-oxolane-2-carbonyl]piperidine-2-carboxylic acid

(2S)-1-[(2S)-oxolane-2-carbonyl]piperidine-2-carboxylic acid (PubChem CID 28819964) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is (2S)-1-[(2S)-oxolane-2-carbonyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[(2S)-oxolane-2-carbonyl]piperidine-2-carboxylic acid
PubChem CID28819964
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name(2S)-1-[(2S)-oxolane-2-carbonyl]piperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCCN1C(=O)[C@@H]1CCCO1
InChIInChI=1S/C11H17NO4/c13-10(9-5-3-7-16-9)12-6-2-1-4-8(12)11(14)15/h8-9H,1-7H2,(H,14,15)/t8-,9-/m0/s1
InChIKeyGZVXPKKVXAMGPM-IUCAKERBSA-N
XLogP0.63
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-oxolane-2-carbonyl]piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[(2S)-oxolane-2-carbonyl]piperidine-2-carboxylic acid (CID 28819964) is (2S)-1-[(2S)-oxolane-2-carbonyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[(2S)-oxolane-2-carbonyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[(2S)-oxolane-2-carbonyl]piperidine-2-carboxylic acid is O=C(O)[C@@H]1CCCCN1C(=O)[C@@H]1CCCO1.
What is the InChIKey of (2S)-1-[(2S)-oxolane-2-carbonyl]piperidine-2-carboxylic acid?
The InChIKey is GZVXPKKVXAMGPM-IUCAKERBSA-N. The full InChI is InChI=1S/C11H17NO4/c13-10(9-5-3-7-16-9)12-6-2-1-4-8(12)11(14)15/h8-9H,1-7H2,(H,14,15)/t8-,9-/m0/s1.
What are the key properties of (2S)-1-[(2S)-oxolane-2-carbonyl]piperidine-2-carboxylic acid?
(2S)-1-[(2S)-oxolane-2-carbonyl]piperidine-2-carboxylic acid has a molecular weight of 227.26 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-oxolane-2-carbonyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 28819964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).