2-(1-fluorobutyl)-3-methoxyazetidine-1-carboxylic acid

C9H16FNO3 — CID 67247094

IUPAC2-(1-fluorobutyl)-3-methoxyazetidine-1-carboxylic acid
SMILESCCCC(F)C1C(OC)CN1C(=O)O
InChIInChI=1S/C9H16FNO3/c1-3-4-6(10)8-7(14-2)5-11(8)9(12)13/h6-8H,3-5H2,1-2H3,(H,12,13)
InChIKeyCXQJMVKJFVHVGO-UHFFFAOYSA-N
MW205.23 g/mol
LogP1.50
Rot. Bonds4

About 2-(1-fluorobutyl)-3-methoxyazetidine-1-carboxylic acid

2-(1-fluorobutyl)-3-methoxyazetidine-1-carboxylic acid (PubChem CID 67247094) has the molecular formula C9H16FNO3 and a molecular weight of 205.23 g/mol. Its IUPAC name is 2-(1-fluorobutyl)-3-methoxyazetidine-1-carboxylic acid.

Molecular Properties

Compound Name2-(1-fluorobutyl)-3-methoxyazetidine-1-carboxylic acid
PubChem CID67247094
Molecular FormulaC9H16FNO3
Molecular Weight205.23 g/mol
Exact Mass205.11
IUPAC Name2-(1-fluorobutyl)-3-methoxyazetidine-1-carboxylic acid
SMILESCCCC(F)C1C(OC)CN1C(=O)O
InChIInChI=1S/C9H16FNO3/c1-3-4-6(10)8-7(14-2)5-11(8)9(12)13/h6-8H,3-5H2,1-2H3,(H,12,13)
InChIKeyCXQJMVKJFVHVGO-UHFFFAOYSA-N
XLogP1.50
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]pentanoic acid
CID 103536440
(2R)-2-[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107567836
(3R,4S)-3,4-dimethoxypyrrolidine-1-carboxylic acid
CID 20745982
(4R)-2-(1-hydroxyethyl)-4-methoxypyrrolidine-1-carboxylic acid
CID 166681264
3-fluoro-4-methoxy-2-(oxan-2-yloxymethyl)pyrrolidine-1-carboxylic acid
CID 90157832
(2R,4R)-2-formyl-4-methoxypyrrolidine-1-carboxylic acid
CID 134282102
(2S,4S)-4-hydroxy-2-(methoxymethyl)pyrrolidine-1-carboxylic acid
CID 66670441
1-[(2S)-2-aminopentanoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 107569128
ethyl 2-(3,4-dimethoxypyrrolidin-1-yl)butanoate
CID 103535264
1-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)ethanone
CID 103533144
2-(3,4-dimethoxypyrrolidin-1-yl)propanoic acid
CID 103535229
3-[(3S,4R)-3,4-dimethoxycyclopentyl]prop-2-ynoic acid
CID 125487997

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluorobutyl)-3-methoxyazetidine-1-carboxylic acid?
The IUPAC name of 2-(1-fluorobutyl)-3-methoxyazetidine-1-carboxylic acid (CID 67247094) is 2-(1-fluorobutyl)-3-methoxyazetidine-1-carboxylic acid.
What is the SMILES notation for 2-(1-fluorobutyl)-3-methoxyazetidine-1-carboxylic acid?
The canonical SMILES for 2-(1-fluorobutyl)-3-methoxyazetidine-1-carboxylic acid is CCCC(F)C1C(OC)CN1C(=O)O.
What is the InChIKey of 2-(1-fluorobutyl)-3-methoxyazetidine-1-carboxylic acid?
The InChIKey is CXQJMVKJFVHVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO3/c1-3-4-6(10)8-7(14-2)5-11(8)9(12)13/h6-8H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 2-(1-fluorobutyl)-3-methoxyazetidine-1-carboxylic acid?
2-(1-fluorobutyl)-3-methoxyazetidine-1-carboxylic acid has a molecular weight of 205.23 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluorobutyl)-3-methoxyazetidine-1-carboxylic acid is sourced from PubChem (CID 67247094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).