(3R)-2-oxopiperidine-3-carboxylic acid

C6H9NO3 — CID 51899702

IUPAC(3R)-2-oxopiperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCNC1=O
InChIInChI=1S/C6H9NO3/c8-5-4(6(9)10)2-1-3-7-5/h4H,1-3H2,(H,7,8)(H,9,10)/t4-/m1/s1
InChIKeyHQSIETYOWKHBCH-SCSAIBSYSA-N
MW143.14 g/mol
LogP-0.40
Rot. Bonds1

About (3R)-2-oxopiperidine-3-carboxylic acid

(3R)-2-oxopiperidine-3-carboxylic acid (PubChem CID 51899702) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is (3R)-2-oxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-2-oxopiperidine-3-carboxylic acid
PubChem CID51899702
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name(3R)-2-oxopiperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCNC1=O
InChIInChI=1S/C6H9NO3/c8-5-4(6(9)10)2-1-3-7-5/h4H,1-3H2,(H,7,8)(H,9,10)/t4-/m1/s1
InChIKeyHQSIETYOWKHBCH-SCSAIBSYSA-N
XLogP-0.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-2-oxopiperidine-3-carboxylic acid?
The IUPAC name of (3R)-2-oxopiperidine-3-carboxylic acid (CID 51899702) is (3R)-2-oxopiperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-2-oxopiperidine-3-carboxylic acid?
The canonical SMILES for (3R)-2-oxopiperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCNC1=O.
What is the InChIKey of (3R)-2-oxopiperidine-3-carboxylic acid?
The InChIKey is HQSIETYOWKHBCH-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H9NO3/c8-5-4(6(9)10)2-1-3-7-5/h4H,1-3H2,(H,7,8)(H,9,10)/t4-/m1/s1.
What are the key properties of (3R)-2-oxopiperidine-3-carboxylic acid?
(3R)-2-oxopiperidine-3-carboxylic acid has a molecular weight of 143.14 g/mol, XLogP of -0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-oxopiperidine-3-carboxylic acid is sourced from PubChem (CID 51899702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).