(3S)-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxylic acid

C11H17NO4 — CID 42257273

IUPAC(3S)-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCCN(C(=O)[C@@H]2CCCO2)C1
InChIInChI=1S/C11H17NO4/c13-10(9-4-2-6-16-9)12-5-1-3-8(7-12)11(14)15/h8-9H,1-7H2,(H,14,15)/t8-,9-/m0/s1
InChIKeyAMUFGVBIYQCPFW-IUCAKERBSA-N
MW227.26 g/mol
LogP0.49
Rot. Bonds2

About (3S)-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxylic acid

(3S)-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxylic acid (PubChem CID 42257273) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is (3S)-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxylic acid
PubChem CID42257273
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name(3S)-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCCN(C(=O)[C@@H]2CCCO2)C1
InChIInChI=1S/C11H17NO4/c13-10(9-4-2-6-16-9)12-5-1-3-8(7-12)11(14)15/h8-9H,1-7H2,(H,14,15)/t8-,9-/m0/s1
InChIKeyAMUFGVBIYQCPFW-IUCAKERBSA-N
XLogP0.49
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 ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-oxolane-2-carbonyl]azetidine-3-carboxylic acid
CID 104855720
(3S)-1-(1,4-dioxane-2-carbonyl)piperidine-3-carboxylic acid
CID 81125447
N'-hydroxy-1-(oxolane-2-carbonyl)piperidine-3-carboximidamide
CID 77041531
azepan-1-yl(oxan-2-yl)methanone
CID 64592467
cyclooctyl-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]methanone
CID 97216636
(3S)-1-(oxane-3-carbonyl)piperidine-3-carboxylic acid
CID 81125597
[3-(methylamino)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 104856209
[(3R)-3-(hydroxymethyl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 39243248
[(3R)-3-(cyclopropylamino)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 174348554
(3-methylpiperidin-1-yl)-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone
CID 113005814
(3S)-1-[(2S,5R)-5-methyloxolane-2-carbonyl]piperidine-3-carboxylic acid
CID 124593337
[(3R)-3-methylpyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 143794584

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxylic acid (CID 42257273) is (3S)-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxylic acid is O=C(O)[C@H]1CCCN(C(=O)[C@@H]2CCCO2)C1.
What is the InChIKey of (3S)-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxylic acid?
The InChIKey is AMUFGVBIYQCPFW-IUCAKERBSA-N. The full InChI is InChI=1S/C11H17NO4/c13-10(9-4-2-6-16-9)12-5-1-3-8(7-12)11(14)15/h8-9H,1-7H2,(H,14,15)/t8-,9-/m0/s1.
What are the key properties of (3S)-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxylic acid?
(3S)-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxylic acid has a molecular weight of 227.26 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 42257273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).