(3S,5S)-5-(azetidin-1-yl)piperidine-3-carboxylic acid

C9H16N2O2 — CID 125457412

IUPAC(3S,5S)-5-(azetidin-1-yl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CNC[C@@H](N2CCC2)C1
InChIInChI=1S/C9H16N2O2/c12-9(13)7-4-8(6-10-5-7)11-2-1-3-11/h7-8,10H,1-6H2,(H,12,13)/t7-,8-/m0/s1
InChIKeyNJAAXJSLUCNTEL-YUMQZZPRSA-N
MW184.24 g/mol
LogP-0.25
Rot. Bonds2

About (3S,5S)-5-(azetidin-1-yl)piperidine-3-carboxylic acid

(3S,5S)-5-(azetidin-1-yl)piperidine-3-carboxylic acid (PubChem CID 125457412) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is (3S,5S)-5-(azetidin-1-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,5S)-5-(azetidin-1-yl)piperidine-3-carboxylic acid
PubChem CID125457412
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name(3S,5S)-5-(azetidin-1-yl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CNC[C@@H](N2CCC2)C1
InChIInChI=1S/C9H16N2O2/c12-9(13)7-4-8(6-10-5-7)11-2-1-3-11/h7-8,10H,1-6H2,(H,12,13)/t7-,8-/m0/s1
InChIKeyNJAAXJSLUCNTEL-YUMQZZPRSA-N
XLogP-0.25
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-(azetidin-1-yl)piperidine-3-carboxylic acid?
The IUPAC name of (3S,5S)-5-(azetidin-1-yl)piperidine-3-carboxylic acid (CID 125457412) is (3S,5S)-5-(azetidin-1-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S,5S)-5-(azetidin-1-yl)piperidine-3-carboxylic acid?
The canonical SMILES for (3S,5S)-5-(azetidin-1-yl)piperidine-3-carboxylic acid is O=C(O)[C@@H]1CNC[C@@H](N2CCC2)C1.
What is the InChIKey of (3S,5S)-5-(azetidin-1-yl)piperidine-3-carboxylic acid?
The InChIKey is NJAAXJSLUCNTEL-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H16N2O2/c12-9(13)7-4-8(6-10-5-7)11-2-1-3-11/h7-8,10H,1-6H2,(H,12,13)/t7-,8-/m0/s1.
What are the key properties of (3S,5S)-5-(azetidin-1-yl)piperidine-3-carboxylic acid?
(3S,5S)-5-(azetidin-1-yl)piperidine-3-carboxylic acid has a molecular weight of 184.24 g/mol, XLogP of -0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-(azetidin-1-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 125457412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).