3-methoxy-4-(3-methylazetidin-1-yl)butanoic acid

C9H17NO3 — CID 103160243

IUPAC3-methoxy-4-(3-methylazetidin-1-yl)butanoic acid
SMILESCOC(CC(=O)O)CN1CC(C)C1
InChIInChI=1S/C9H17NO3/c1-7-4-10(5-7)6-8(13-2)3-9(11)12/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyIMJVKUJRFBDYTR-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.43
Rot. Bonds5

About 3-methoxy-4-(3-methylazetidin-1-yl)butanoic acid

3-methoxy-4-(3-methylazetidin-1-yl)butanoic acid (PubChem CID 103160243) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-methoxy-4-(3-methylazetidin-1-yl)butanoic acid.

Molecular Properties

Compound Name3-methoxy-4-(3-methylazetidin-1-yl)butanoic acid
PubChem CID103160243
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name3-methoxy-4-(3-methylazetidin-1-yl)butanoic acid
SMILESCOC(CC(=O)O)CN1CC(C)C1
InChIInChI=1S/C9H17NO3/c1-7-4-10(5-7)6-8(13-2)3-9(11)12/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyIMJVKUJRFBDYTR-UHFFFAOYSA-N
XLogP0.43
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-methoxyhexanedioic acid
CID 12636073
3-methoxy-4-[(4-methylcyclohexanecarbonyl)amino]butanoic acid
CID 103153013
3-methoxy-4-[5-(4-methylcyclohexyl)tetrazol-1-yl]butanoic acid
CID 103160506
4-(5-cyclopropyltetrazol-1-yl)-3-methoxybutanoic acid
CID 103160438
3-methoxy-4-[(3-methylthiomorpholine-4-carbonyl)amino]butanoic acid
CID 103159466
3-methoxy-4-[(2-methylthiomorpholine-4-carbonyl)amino]butanoic acid
CID 103160015
(3R)-3,5-dimethoxy-5-oxopentanoic acid
CID 14895219
3-methoxy-4-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid
CID 103153472
2-hydroxy-3-(3-methylazetidin-1-yl)propanamide
CID 106172308
3-methoxy-4-(2-oxo-1,3-diazinan-1-yl)butanoic acid
CID 103157501
(3-carboxy-2-methoxypropyl)-trimethylazanium
CID 10219645
3-methoxynonanoic acid
CID 139673009

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(3-methylazetidin-1-yl)butanoic acid?
The IUPAC name of 3-methoxy-4-(3-methylazetidin-1-yl)butanoic acid (CID 103160243) is 3-methoxy-4-(3-methylazetidin-1-yl)butanoic acid.
What is the SMILES notation for 3-methoxy-4-(3-methylazetidin-1-yl)butanoic acid?
The canonical SMILES for 3-methoxy-4-(3-methylazetidin-1-yl)butanoic acid is COC(CC(=O)O)CN1CC(C)C1.
What is the InChIKey of 3-methoxy-4-(3-methylazetidin-1-yl)butanoic acid?
The InChIKey is IMJVKUJRFBDYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-7-4-10(5-7)6-8(13-2)3-9(11)12/h7-8H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 3-methoxy-4-(3-methylazetidin-1-yl)butanoic acid?
3-methoxy-4-(3-methylazetidin-1-yl)butanoic acid has a molecular weight of 187.24 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(3-methylazetidin-1-yl)butanoic acid is sourced from PubChem (CID 103160243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).