1-(2-chlorofuran-3-carbonyl)azetidine-3-carboxylic acid

C9H8ClNO4 — CID 106683486

IUPAC1-(2-chlorofuran-3-carbonyl)azetidine-3-carboxylic acid
SMILESO=C(O)C1CN(C(=O)c2ccoc2Cl)C1
InChIInChI=1S/C9H8ClNO4/c10-7-6(1-2-15-7)8(12)11-3-5(4-11)9(13)14/h1-2,5H,3-4H2,(H,13,14)
InChIKeyRKEKUCPTMVOYEY-UHFFFAOYSA-N
MW229.62 g/mol
LogP1.09
Rot. Bonds2

About 1-(2-chlorofuran-3-carbonyl)azetidine-3-carboxylic acid

1-(2-chlorofuran-3-carbonyl)azetidine-3-carboxylic acid (PubChem CID 106683486) has the molecular formula C9H8ClNO4 and a molecular weight of 229.62 g/mol. Its IUPAC name is 1-(2-chlorofuran-3-carbonyl)azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-chlorofuran-3-carbonyl)azetidine-3-carboxylic acid
PubChem CID106683486
Molecular FormulaC9H8ClNO4
Molecular Weight229.62 g/mol
Exact Mass229.01
IUPAC Name1-(2-chlorofuran-3-carbonyl)azetidine-3-carboxylic acid
SMILESO=C(O)C1CN(C(=O)c2ccoc2Cl)C1
InChIInChI=1S/C9H8ClNO4/c10-7-6(1-2-15-7)8(12)11-3-5(4-11)9(13)14/h1-2,5H,3-4H2,(H,13,14)
InChIKeyRKEKUCPTMVOYEY-UHFFFAOYSA-N
XLogP1.09
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.62
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chlorofuran-3-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 106686990
1-(2-bromofuran-3-carbonyl)azetidine-3-carboxylic acid
CID 106851047
(2-chlorofuran-3-yl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 106687354
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(2-chlorofuran-3-yl)methanone
CID 106688551
(3-bromopyrrolidin-1-yl)-(2-chlorofuran-3-yl)methanone
CID 106689942
(2-chlorofuran-3-yl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 106687066
(2-chlorofuran-3-yl)-(4-methylpiperidin-1-yl)methanone
CID 106685117
(2R)-1-(2-chlorofuran-3-carbonyl)piperidine-2-carboxylic acid
CID 106683530
[(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(2-chlorofuran-3-yl)methanone
CID 106688428
(4-amino-3-ethylpiperidin-1-yl)-(2-chlorofuran-3-yl)methanone
CID 106688582
(2-chlorofuran-3-yl)-(3-methylpiperazin-1-yl)methanone
CID 106683662
[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-(2-chlorofuran-3-yl)methanone
CID 106688634

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorofuran-3-carbonyl)azetidine-3-carboxylic acid?
The IUPAC name of 1-(2-chlorofuran-3-carbonyl)azetidine-3-carboxylic acid (CID 106683486) is 1-(2-chlorofuran-3-carbonyl)azetidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-chlorofuran-3-carbonyl)azetidine-3-carboxylic acid?
The canonical SMILES for 1-(2-chlorofuran-3-carbonyl)azetidine-3-carboxylic acid is O=C(O)C1CN(C(=O)c2ccoc2Cl)C1.
What is the InChIKey of 1-(2-chlorofuran-3-carbonyl)azetidine-3-carboxylic acid?
The InChIKey is RKEKUCPTMVOYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO4/c10-7-6(1-2-15-7)8(12)11-3-5(4-11)9(13)14/h1-2,5H,3-4H2,(H,13,14).
What are the key properties of 1-(2-chlorofuran-3-carbonyl)azetidine-3-carboxylic acid?
1-(2-chlorofuran-3-carbonyl)azetidine-3-carboxylic acid has a molecular weight of 229.62 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorofuran-3-carbonyl)azetidine-3-carboxylic acid is sourced from PubChem (CID 106683486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).