3-(2-hydroxyethyl)azetidine-1-carboxylic acid

C6H11NO3 — CID 89421066

IUPAC3-(2-hydroxyethyl)azetidine-1-carboxylic acid
SMILESO=C(O)N1CC(CCO)C1
InChIInChI=1S/C6H11NO3/c8-2-1-5-3-7(4-5)6(9)10/h5,8H,1-4H2,(H,9,10)
InChIKeyPOQMYYURGZLBQE-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.02
Rot. Bonds2

About 3-(2-hydroxyethyl)azetidine-1-carboxylic acid

3-(2-hydroxyethyl)azetidine-1-carboxylic acid (PubChem CID 89421066) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)azetidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(2-hydroxyethyl)azetidine-1-carboxylic acid
PubChem CID89421066
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name3-(2-hydroxyethyl)azetidine-1-carboxylic acid
SMILESO=C(O)N1CC(CCO)C1
InChIInChI=1S/C6H11NO3/c8-2-1-5-3-7(4-5)6(9)10/h5,8H,1-4H2,(H,9,10)
InChIKeyPOQMYYURGZLBQE-UHFFFAOYSA-N
XLogP-0.02
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(2-hydroxyethyl)piperidine-1-carboxylic acid
CID 69075758
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-oxoacetic acid
CID 104767982
3-aminoazetidine-1-carboxylic acid;hydrochloride
CID 126721297
2-[1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetic acid
CID 114798908
(1-carboxyazetidin-3-yl)methanesulfinate
CID 174444201
3-(2-pyrazol-1-ylethyl)azetidine-1-carboxylic acid
CID 151886257
2-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 114797273
(3S)-1-[3-(2-hydroxyethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid
CID 107228221
2-chloro-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 107216511
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-methylbut-2-en-1-one
CID 115746427
8-(hydroxymethyl)-3-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 69144156
3-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 114799133

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)azetidine-1-carboxylic acid?
The IUPAC name of 3-(2-hydroxyethyl)azetidine-1-carboxylic acid (CID 89421066) is 3-(2-hydroxyethyl)azetidine-1-carboxylic acid.
What is the SMILES notation for 3-(2-hydroxyethyl)azetidine-1-carboxylic acid?
The canonical SMILES for 3-(2-hydroxyethyl)azetidine-1-carboxylic acid is O=C(O)N1CC(CCO)C1.
What is the InChIKey of 3-(2-hydroxyethyl)azetidine-1-carboxylic acid?
The InChIKey is POQMYYURGZLBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c8-2-1-5-3-7(4-5)6(9)10/h5,8H,1-4H2,(H,9,10).
What are the key properties of 3-(2-hydroxyethyl)azetidine-1-carboxylic acid?
3-(2-hydroxyethyl)azetidine-1-carboxylic acid has a molecular weight of 145.16 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)azetidine-1-carboxylic acid is sourced from PubChem (CID 89421066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).