(3R)-1-cyclopropyl-2-oxopiperidine-3-carboxylic acid

C9H13NO3 — CID 129371536

IUPAC(3R)-1-cyclopropyl-2-oxopiperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C2CC2)C1=O
InChIInChI=1S/C9H13NO3/c11-8-7(9(12)13)2-1-5-10(8)6-3-4-6/h6-7H,1-5H2,(H,12,13)/t7-/m1/s1
InChIKeyZXDCXTKZWRWURU-SSDOTTSWSA-N
MW183.21 g/mol
LogP0.47
Rot. Bonds2

About (3R)-1-cyclopropyl-2-oxopiperidine-3-carboxylic acid

(3R)-1-cyclopropyl-2-oxopiperidine-3-carboxylic acid (PubChem CID 129371536) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is (3R)-1-cyclopropyl-2-oxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-cyclopropyl-2-oxopiperidine-3-carboxylic acid
PubChem CID129371536
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name(3R)-1-cyclopropyl-2-oxopiperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C2CC2)C1=O
InChIInChI=1S/C9H13NO3/c11-8-7(9(12)13)2-1-5-10(8)6-3-4-6/h6-7H,1-5H2,(H,12,13)/t7-/m1/s1
InChIKeyZXDCXTKZWRWURU-SSDOTTSWSA-N
XLogP0.47
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.47
H-Bond Donors ≤ 51
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)-1-cyclopropyl-2-oxopiperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-cyclopropyl-2-oxopiperidine-3-carboxylic acid (CID 129371536) is (3R)-1-cyclopropyl-2-oxopiperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-cyclopropyl-2-oxopiperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-cyclopropyl-2-oxopiperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(C2CC2)C1=O.
What is the InChIKey of (3R)-1-cyclopropyl-2-oxopiperidine-3-carboxylic acid?
The InChIKey is ZXDCXTKZWRWURU-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H13NO3/c11-8-7(9(12)13)2-1-5-10(8)6-3-4-6/h6-7H,1-5H2,(H,12,13)/t7-/m1/s1.
What are the key properties of (3R)-1-cyclopropyl-2-oxopiperidine-3-carboxylic acid?
(3R)-1-cyclopropyl-2-oxopiperidine-3-carboxylic acid has a molecular weight of 183.21 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-cyclopropyl-2-oxopiperidine-3-carboxylic acid is sourced from PubChem (CID 129371536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).