3-[(3S)-piperidin-3-yl]azetidine-1-carboxylic acid

C9H16N2O2 — CID 134211094

IUPAC3-[(3S)-piperidin-3-yl]azetidine-1-carboxylic acid
SMILESO=C(O)N1CC([C@@H]2CCCNC2)C1
InChIInChI=1S/C9H16N2O2/c12-9(13)11-5-8(6-11)7-2-1-3-10-4-7/h7-8,10H,1-6H2,(H,12,13)/t7-/m1/s1
InChIKeyICKLOSXWPLATRD-SSDOTTSWSA-N
MW184.24 g/mol
LogP0.60
Rot. Bonds1

About 3-[(3S)-piperidin-3-yl]azetidine-1-carboxylic acid

3-[(3S)-piperidin-3-yl]azetidine-1-carboxylic acid (PubChem CID 134211094) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-[(3S)-piperidin-3-yl]azetidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[(3S)-piperidin-3-yl]azetidine-1-carboxylic acid
PubChem CID134211094
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name3-[(3S)-piperidin-3-yl]azetidine-1-carboxylic acid
SMILESO=C(O)N1CC([C@@H]2CCCNC2)C1
InChIInChI=1S/C9H16N2O2/c12-9(13)11-5-8(6-11)7-2-1-3-10-4-7/h7-8,10H,1-6H2,(H,12,13)/t7-/m1/s1
InChIKeyICKLOSXWPLATRD-SSDOTTSWSA-N
XLogP0.60
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-piperidin-3-yl]azetidine-1-carboxylic acid?
The IUPAC name of 3-[(3S)-piperidin-3-yl]azetidine-1-carboxylic acid (CID 134211094) is 3-[(3S)-piperidin-3-yl]azetidine-1-carboxylic acid.
What is the SMILES notation for 3-[(3S)-piperidin-3-yl]azetidine-1-carboxylic acid?
The canonical SMILES for 3-[(3S)-piperidin-3-yl]azetidine-1-carboxylic acid is O=C(O)N1CC([C@@H]2CCCNC2)C1.
What is the InChIKey of 3-[(3S)-piperidin-3-yl]azetidine-1-carboxylic acid?
The InChIKey is ICKLOSXWPLATRD-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H16N2O2/c12-9(13)11-5-8(6-11)7-2-1-3-10-4-7/h7-8,10H,1-6H2,(H,12,13)/t7-/m1/s1.
What are the key properties of 3-[(3S)-piperidin-3-yl]azetidine-1-carboxylic acid?
3-[(3S)-piperidin-3-yl]azetidine-1-carboxylic acid has a molecular weight of 184.24 g/mol, XLogP of 0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-piperidin-3-yl]azetidine-1-carboxylic acid is sourced from PubChem (CID 134211094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).