3-(2-hydroxyethyl)-4-oxoazetidine-2-carboxylic acid

C6H9NO4 — CID 70535367

IUPAC3-(2-hydroxyethyl)-4-oxoazetidine-2-carboxylic acid
SMILESO=C1NC(C(=O)O)C1CCO
InChIInChI=1S/C6H9NO4/c8-2-1-3-4(6(10)11)7-5(3)9/h3-4,8H,1-2H2,(H,7,9)(H,10,11)
InChIKeyGTNADIRLJUOZRZ-UHFFFAOYSA-N
MW159.14 g/mol
LogP-1.43
Rot. Bonds3

About 3-(2-hydroxyethyl)-4-oxoazetidine-2-carboxylic acid

3-(2-hydroxyethyl)-4-oxoazetidine-2-carboxylic acid (PubChem CID 70535367) has the molecular formula C6H9NO4 and a molecular weight of 159.14 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-4-oxoazetidine-2-carboxylic acid.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-4-oxoazetidine-2-carboxylic acid
PubChem CID70535367
Molecular FormulaC6H9NO4
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC Name3-(2-hydroxyethyl)-4-oxoazetidine-2-carboxylic acid
SMILESO=C1NC(C(=O)O)C1CCO
InChIInChI=1S/C6H9NO4/c8-2-1-3-4(6(10)11)7-5(3)9/h3-4,8H,1-2H2,(H,7,9)(H,10,11)
InChIKeyGTNADIRLJUOZRZ-UHFFFAOYSA-N
XLogP-1.43
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-1.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-4-oxo-3-prop-2-enylazetidine-2-carboxylic acid
CID 70320136
3-(azidomethyl)-4-oxoazetidine-2-carboxylic acid
CID 20715928
(3R)-3-[2-[[amino(methylsulfanyl)methylidene]amino]ethyl]-4-oxoazetidine-2-carboxylic acid
CID 174177527
3-(2-hydroxyethyl)-2,6-dioxopiperidine-4-carboxylic acid
CID 82397360
(2R,3R,4R)-3-ethyl-5-oxo-4-(2-phosphanyloxyethyl)pyrrolidine-2-carboxylic acid
CID 58773470
2-oxoimidazolidine-4,5-dicarboxylic acid
CID 19082391
3-[3-[bis(3-phenylpropanoylamino)methylideneamino]propyl]-4-oxoazetidine-2-carboxylic acid
CID 68602391
(3S,4R)-4-acetyl-3-ethylazetidin-2-one
CID 131846194
3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]ethyl]-4-oxoazetidine-2-carboxylic acid
CID 118294559
(1R,5S)-4-oxo-3,8-diazabicyclo[3.2.1]octane-2-carboxylic acid
CID 174173317
(4R)-4-(2-hydroxyethyl)-5-oxo-1,4-dihydropyrazole-3-carbohydrazide
CID 98130844
5-iodo-2,6-dioxo-1,3-diazinane-4-carboxylic acid
CID 45036974

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-4-oxoazetidine-2-carboxylic acid?
The IUPAC name of 3-(2-hydroxyethyl)-4-oxoazetidine-2-carboxylic acid (CID 70535367) is 3-(2-hydroxyethyl)-4-oxoazetidine-2-carboxylic acid.
What is the SMILES notation for 3-(2-hydroxyethyl)-4-oxoazetidine-2-carboxylic acid?
The canonical SMILES for 3-(2-hydroxyethyl)-4-oxoazetidine-2-carboxylic acid is O=C1NC(C(=O)O)C1CCO.
What is the InChIKey of 3-(2-hydroxyethyl)-4-oxoazetidine-2-carboxylic acid?
The InChIKey is GTNADIRLJUOZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO4/c8-2-1-3-4(6(10)11)7-5(3)9/h3-4,8H,1-2H2,(H,7,9)(H,10,11).
What are the key properties of 3-(2-hydroxyethyl)-4-oxoazetidine-2-carboxylic acid?
3-(2-hydroxyethyl)-4-oxoazetidine-2-carboxylic acid has a molecular weight of 159.14 g/mol, XLogP of -1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-4-oxoazetidine-2-carboxylic acid is sourced from PubChem (CID 70535367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).