3-(3-tert-butylazetidin-1-yl)-2-hydroxy-2-methylpropanoic acid

C11H21NO3 — CID 79689744

IUPAC3-(3-tert-butylazetidin-1-yl)-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CN1CC(C(C)(C)C)C1)C(=O)O
InChIInChI=1S/C11H21NO3/c1-10(2,3)8-5-12(6-8)7-11(4,15)9(13)14/h8,15H,5-7H2,1-4H3,(H,13,14)
InChIKeyMFROWONFTBLLBL-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.80
Rot. Bonds3

About 3-(3-tert-butylazetidin-1-yl)-2-hydroxy-2-methylpropanoic acid

3-(3-tert-butylazetidin-1-yl)-2-hydroxy-2-methylpropanoic acid (PubChem CID 79689744) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 3-(3-tert-butylazetidin-1-yl)-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(3-tert-butylazetidin-1-yl)-2-hydroxy-2-methylpropanoic acid
PubChem CID79689744
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name3-(3-tert-butylazetidin-1-yl)-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CN1CC(C(C)(C)C)C1)C(=O)O
InChIInChI=1S/C11H21NO3/c1-10(2,3)8-5-12(6-8)7-11(4,15)9(13)14/h8,15H,5-7H2,1-4H3,(H,13,14)
InChIKeyMFROWONFTBLLBL-UHFFFAOYSA-N
XLogP0.80
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dimethylpiperazin-1-yl)-2-hydroxy-2-methylpropanoic acid
CID 104645103
2-(3-tert-butylazetidin-1-yl)acetic acid
CID 79687035
3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-hydroxy-2-methylpropanoic acid
CID 81474873
3-(3-ethyl-4-oxopiperidin-1-yl)-2-hydroxy-2-methylpropanoic acid
CID 114509649
3-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-2-hydroxy-2-methylpropanoic acid
CID 131140839
3-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-2-hydroxy-2-methylpropanoic acid
CID 81096702
2-hydroxy-3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanoic acid
CID 81096611
5-(3-tert-butylazetidin-1-yl)pentan-1-ol
CID 107319643
2-(3-tert-butylazetidin-1-yl)-2-methylbutanoic acid
CID 79801551
3-tert-butyl-1-heptylazetidine
CID 157310046
3-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-hydroxy-2-methylpropanoic acid
CID 123994647
2-[1-(2,2-dimethylpropyl)azetidin-3-yl]acetic acid
CID 65069491

Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butylazetidin-1-yl)-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-(3-tert-butylazetidin-1-yl)-2-hydroxy-2-methylpropanoic acid (CID 79689744) is 3-(3-tert-butylazetidin-1-yl)-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-(3-tert-butylazetidin-1-yl)-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-(3-tert-butylazetidin-1-yl)-2-hydroxy-2-methylpropanoic acid is CC(O)(CN1CC(C(C)(C)C)C1)C(=O)O.
What is the InChIKey of 3-(3-tert-butylazetidin-1-yl)-2-hydroxy-2-methylpropanoic acid?
The InChIKey is MFROWONFTBLLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-10(2,3)8-5-12(6-8)7-11(4,15)9(13)14/h8,15H,5-7H2,1-4H3,(H,13,14).
What are the key properties of 3-(3-tert-butylazetidin-1-yl)-2-hydroxy-2-methylpropanoic acid?
3-(3-tert-butylazetidin-1-yl)-2-hydroxy-2-methylpropanoic acid has a molecular weight of 215.29 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butylazetidin-1-yl)-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 79689744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).