3-hydroxy-3-piperidin-4-ylazetidine-1-carboxylic acid

C9H16N2O3 — CID 170156846

IUPAC3-hydroxy-3-piperidin-4-ylazetidine-1-carboxylic acid
SMILESO=C(O)N1CC(O)(C2CCNCC2)C1
InChIInChI=1S/C9H16N2O3/c12-8(13)11-5-9(14,6-11)7-1-3-10-4-2-7/h7,10,14H,1-6H2,(H,12,13)
InChIKeyRYQOTAFMJIUPFR-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.29
Rot. Bonds1

About 3-hydroxy-3-piperidin-4-ylazetidine-1-carboxylic acid

3-hydroxy-3-piperidin-4-ylazetidine-1-carboxylic acid (PubChem CID 170156846) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-hydroxy-3-piperidin-4-ylazetidine-1-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-3-piperidin-4-ylazetidine-1-carboxylic acid
PubChem CID170156846
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name3-hydroxy-3-piperidin-4-ylazetidine-1-carboxylic acid
SMILESO=C(O)N1CC(O)(C2CCNCC2)C1
InChIInChI=1S/C9H16N2O3/c12-8(13)11-5-9(14,6-11)7-1-3-10-4-2-7/h7,10,14H,1-6H2,(H,12,13)
InChIKeyRYQOTAFMJIUPFR-UHFFFAOYSA-N
XLogP-0.29
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-3-piperidin-4-ylcyclobutane-1-carboxylic acid
CID 139016280
3-cyclopropyl-1-piperidin-4-ylazetidin-3-ol
CID 130963860
2-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)ethanone
CID 107218721
4-(piperidine-4-carbonyl)piperazine-1-carboxylic acid
CID 91186239
4-piperidin-4-yloxypiperidine-1-carboxylic acid
CID 69156881
1,5-diazocane-1-carboxylic acid
CID 141313557
3-hydroxy-1-piperidin-4-ylpyrrolidine-3-carboxylic acid
CID 115028740
ethyl 1-piperidin-4-ylcyclopropane-1-carboxylate;hydrochloride
CID 131964099
4-(cyclopropanecarbonyl)piperazine-1-carboxylic acid;cyclopropyl(piperazin-1-yl)methanone
CID 175756843
1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-(propan-2-ylamino)ethanone
CID 107218906
4-hydroxy-4-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 54557086
3,9-diazaspiro[5.5]undecane-3-carboxylic acid
CID 66701088

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-piperidin-4-ylazetidine-1-carboxylic acid?
The IUPAC name of 3-hydroxy-3-piperidin-4-ylazetidine-1-carboxylic acid (CID 170156846) is 3-hydroxy-3-piperidin-4-ylazetidine-1-carboxylic acid.
What is the SMILES notation for 3-hydroxy-3-piperidin-4-ylazetidine-1-carboxylic acid?
The canonical SMILES for 3-hydroxy-3-piperidin-4-ylazetidine-1-carboxylic acid is O=C(O)N1CC(O)(C2CCNCC2)C1.
What is the InChIKey of 3-hydroxy-3-piperidin-4-ylazetidine-1-carboxylic acid?
The InChIKey is RYQOTAFMJIUPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c12-8(13)11-5-9(14,6-11)7-1-3-10-4-2-7/h7,10,14H,1-6H2,(H,12,13).
What are the key properties of 3-hydroxy-3-piperidin-4-ylazetidine-1-carboxylic acid?
3-hydroxy-3-piperidin-4-ylazetidine-1-carboxylic acid has a molecular weight of 200.24 g/mol, XLogP of -0.29, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-piperidin-4-ylazetidine-1-carboxylic acid is sourced from PubChem (CID 170156846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).