2-oxo-2-[(2S)-piperidine-2-carbonyl]oxyacetic acid

C8H11NO5 — CID 174964673

IUPAC2-oxo-2-[(2S)-piperidine-2-carbonyl]oxyacetic acid
SMILESO=C(O)C(=O)OC(=O)[C@@H]1CCCCN1
InChIInChI=1S/C8H11NO5/c10-6(11)8(13)14-7(12)5-3-1-2-4-9-5/h5,9H,1-4H2,(H,10,11)/t5-/m0/s1
InChIKeyXLQRPEMRPXTXJC-YFKPBYRVSA-N
MW201.18 g/mol
LogP-0.72
Rot. Bonds1

About 2-oxo-2-[(2S)-piperidine-2-carbonyl]oxyacetic acid

2-oxo-2-[(2S)-piperidine-2-carbonyl]oxyacetic acid (PubChem CID 174964673) has the molecular formula C8H11NO5 and a molecular weight of 201.18 g/mol. Its IUPAC name is 2-oxo-2-[(2S)-piperidine-2-carbonyl]oxyacetic acid.

Molecular Properties

Compound Name2-oxo-2-[(2S)-piperidine-2-carbonyl]oxyacetic acid
PubChem CID174964673
Molecular FormulaC8H11NO5
Molecular Weight201.18 g/mol
Exact Mass201.06
IUPAC Name2-oxo-2-[(2S)-piperidine-2-carbonyl]oxyacetic acid
SMILESO=C(O)C(=O)OC(=O)[C@@H]1CCCCN1
InChIInChI=1S/C8H11NO5/c10-6(11)8(13)14-7(12)5-3-1-2-4-9-5/h5,9H,1-4H2,(H,10,11)/t5-/m0/s1
InChIKeyXLQRPEMRPXTXJC-YFKPBYRVSA-N
XLogP-0.72
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

[(2S)-pyrrolidine-2-carbonyl] (2S)-pyrrolidine-2-carboxylate
CID 57156307
propan-2-yl (2R)-piperidine-2-carboxylate
CID 10197895
(2R)-piperidine-2-carboxylic acid
CID 10725378
cycloheptyl (2R)-piperidine-2-carboxylate
CID 79034969
1-O-ethyl 2-O-[(2S)-pyrrolidine-2-carbonyl] oxalate
CID 139434827
aminomethyl piperidine-2-carboxylate
CID 152636457
azacyclohenicosane-2-carboxylic acid
CID 22341743
bis[(2S)-piperidin-2-yl]methanone
CID 174971247
(2R)-azepane-2-carboxylic acid;hydrochloride
CID 135393254
ethane;(2R)-piperidine-2-carboxylic acid
CID 157030734
cyclopropylmethyl (2S)-piperidine-2-carboxylate
CID 66262951
propyl piperidine-2-carboxylate
CID 43248024

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-[(2S)-piperidine-2-carbonyl]oxyacetic acid?
The IUPAC name of 2-oxo-2-[(2S)-piperidine-2-carbonyl]oxyacetic acid (CID 174964673) is 2-oxo-2-[(2S)-piperidine-2-carbonyl]oxyacetic acid.
What is the SMILES notation for 2-oxo-2-[(2S)-piperidine-2-carbonyl]oxyacetic acid?
The canonical SMILES for 2-oxo-2-[(2S)-piperidine-2-carbonyl]oxyacetic acid is O=C(O)C(=O)OC(=O)[C@@H]1CCCCN1.
What is the InChIKey of 2-oxo-2-[(2S)-piperidine-2-carbonyl]oxyacetic acid?
The InChIKey is XLQRPEMRPXTXJC-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H11NO5/c10-6(11)8(13)14-7(12)5-3-1-2-4-9-5/h5,9H,1-4H2,(H,10,11)/t5-/m0/s1.
What are the key properties of 2-oxo-2-[(2S)-piperidine-2-carbonyl]oxyacetic acid?
2-oxo-2-[(2S)-piperidine-2-carbonyl]oxyacetic acid has a molecular weight of 201.18 g/mol, XLogP of -0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-[(2S)-piperidine-2-carbonyl]oxyacetic acid is sourced from PubChem (CID 174964673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).