3-methyl-2-(3-methylazetidin-1-yl)pentanoic acid

C10H19NO2 — CID 79687657

IUPAC3-methyl-2-(3-methylazetidin-1-yl)pentanoic acid
SMILESCCC(C)C(C(=O)O)N1CC(C)C1
InChIInChI=1S/C10H19NO2/c1-4-8(3)9(10(12)13)11-5-7(2)6-11/h7-9H,4-6H2,1-3H3,(H,12,13)
InChIKeyJBJLZCNIAGICAX-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.44
Rot. Bonds4

About 3-methyl-2-(3-methylazetidin-1-yl)pentanoic acid

3-methyl-2-(3-methylazetidin-1-yl)pentanoic acid (PubChem CID 79687657) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-methyl-2-(3-methylazetidin-1-yl)pentanoic acid.

Molecular Properties

Compound Name3-methyl-2-(3-methylazetidin-1-yl)pentanoic acid
PubChem CID79687657
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name3-methyl-2-(3-methylazetidin-1-yl)pentanoic acid
SMILESCCC(C)C(C(=O)O)N1CC(C)C1
InChIInChI=1S/C10H19NO2/c1-4-8(3)9(10(12)13)11-5-7(2)6-11/h7-9H,4-6H2,1-3H3,(H,12,13)
InChIKeyJBJLZCNIAGICAX-UHFFFAOYSA-N
XLogP1.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-3-methylbutanoic acid
CID 42234068
3-methyl-2-pyrrolidin-1-ylpentanoic acid
CID 23008915
2-(2,5-dihydropyrrol-1-yl)-3-methylpentanoic acid
CID 64681872
3-methyl-2-(4-methylpiperazin-1-yl)pentanoic acid
CID 65420109
3-methyl-2-morpholin-4-ylpentanoic acid
CID 61319548
2-(2-azaspiro[3.5]nonan-2-yl)-3-methylpentanoic acid
CID 79687344
2-(3,5-dimethylpiperidin-1-yl)propanoic acid
CID 20985542
2-(4-hydroxy-2-oxopyrrolidin-1-yl)-3-methylpentanoic acid
CID 168701417
2-(3-azabicyclo[3.1.0]hexan-3-yl)-3-methylbutanoic acid
CID 83817259
(2S,3S)-3-methyl-2-(2-oxo-4-sulfanylpyrrolidin-1-yl)pentanoic acid
CID 168707525
2-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-methylpentanoic acid
CID 167775885
(2R)-3-methyl-2-[(3R)-3-methylpiperidin-1-yl]butanoic acid
CID 42309455

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(3-methylazetidin-1-yl)pentanoic acid?
The IUPAC name of 3-methyl-2-(3-methylazetidin-1-yl)pentanoic acid (CID 79687657) is 3-methyl-2-(3-methylazetidin-1-yl)pentanoic acid.
What is the SMILES notation for 3-methyl-2-(3-methylazetidin-1-yl)pentanoic acid?
The canonical SMILES for 3-methyl-2-(3-methylazetidin-1-yl)pentanoic acid is CCC(C)C(C(=O)O)N1CC(C)C1.
What is the InChIKey of 3-methyl-2-(3-methylazetidin-1-yl)pentanoic acid?
The InChIKey is JBJLZCNIAGICAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-8(3)9(10(12)13)11-5-7(2)6-11/h7-9H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 3-methyl-2-(3-methylazetidin-1-yl)pentanoic acid?
3-methyl-2-(3-methylazetidin-1-yl)pentanoic acid has a molecular weight of 185.27 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(3-methylazetidin-1-yl)pentanoic acid is sourced from PubChem (CID 79687657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).