2-[1-(3-methoxy-3-methylbutyl)azetidin-3-yl]acetic acid

C11H21NO3 — CID 103034713

IUPAC2-[1-(3-methoxy-3-methylbutyl)azetidin-3-yl]acetic acid
SMILESCOC(C)(C)CCN1CC(CC(=O)O)C1
InChIInChI=1S/C11H21NO3/c1-11(2,15-3)4-5-12-7-9(8-12)6-10(13)14/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyOGUHINAZDKEUOP-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.21
Rot. Bonds6

About 2-[1-(3-methoxy-3-methylbutyl)azetidin-3-yl]acetic acid

2-[1-(3-methoxy-3-methylbutyl)azetidin-3-yl]acetic acid (PubChem CID 103034713) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-[1-(3-methoxy-3-methylbutyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-methoxy-3-methylbutyl)azetidin-3-yl]acetic acid
PubChem CID103034713
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-[1-(3-methoxy-3-methylbutyl)azetidin-3-yl]acetic acid
SMILESCOC(C)(C)CCN1CC(CC(=O)O)C1
InChIInChI=1S/C11H21NO3/c1-11(2,15-3)4-5-12-7-9(8-12)6-10(13)14/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyOGUHINAZDKEUOP-UHFFFAOYSA-N
XLogP1.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3,3-dimethylbutyl)azetidin-3-yl]acetic acid
CID 64618314
2-[1-(4-cyano-4-methylpentyl)azetidin-3-yl]acetic acid
CID 65254962
2-[1-(2,2-dimethylpropyl)azetidin-3-yl]acetic acid
CID 65069491
[1-(3-methoxy-3-methylbutyl)pyrrolidin-3-yl]methanamine
CID 103034833
2-(1-ethylazetidin-3-yl)acetic acid;hydrochloride
CID 170915600
2-[1-(3-aminopropyl)azetidin-3-yl]acetic acid
CID 64618110
2-[1-[3-oxo-3-(propan-2-ylamino)propyl]azetidin-3-yl]acetic acid
CID 64616093
3-(2-chloroethyl)-1-(3-methoxy-3-methylbutyl)pyrrolidine
CID 103037292
2-[1-[3-(carbamoylamino)-3-oxopropyl]azetidin-3-yl]acetic acid
CID 64616484
2-[1-[2-(2-methoxyethylamino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64618906
1-(3-methoxy-3-methylbutyl)-5-oxopyrrolidine-3-carboxylic acid
CID 103034262
2-[1-(3,3-difluorobutyl)piperidin-4-yl]acetic acid
CID 84698559

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methoxy-3-methylbutyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(3-methoxy-3-methylbutyl)azetidin-3-yl]acetic acid (CID 103034713) is 2-[1-(3-methoxy-3-methylbutyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(3-methoxy-3-methylbutyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(3-methoxy-3-methylbutyl)azetidin-3-yl]acetic acid is COC(C)(C)CCN1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-(3-methoxy-3-methylbutyl)azetidin-3-yl]acetic acid?
The InChIKey is OGUHINAZDKEUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-11(2,15-3)4-5-12-7-9(8-12)6-10(13)14/h9H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 2-[1-(3-methoxy-3-methylbutyl)azetidin-3-yl]acetic acid?
2-[1-(3-methoxy-3-methylbutyl)azetidin-3-yl]acetic acid has a molecular weight of 215.29 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methoxy-3-methylbutyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 103034713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).