2-[1-(3-propan-2-ylazetidin-1-yl)cyclobutyl]acetic acid

C12H21NO2 — CID 79851479

IUPAC2-[1-(3-propan-2-ylazetidin-1-yl)cyclobutyl]acetic acid
SMILESCC(C)C1CN(C2(CC(=O)O)CCC2)C1
InChIInChI=1S/C12H21NO2/c1-9(2)10-7-13(8-10)12(4-3-5-12)6-11(14)15/h9-10H,3-8H2,1-2H3,(H,14,15)
InChIKeyBSTWVGSIERRJMA-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.97
Rot. Bonds4

About 2-[1-(3-propan-2-ylazetidin-1-yl)cyclobutyl]acetic acid

2-[1-(3-propan-2-ylazetidin-1-yl)cyclobutyl]acetic acid (PubChem CID 79851479) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 2-[1-(3-propan-2-ylazetidin-1-yl)cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-propan-2-ylazetidin-1-yl)cyclobutyl]acetic acid
PubChem CID79851479
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name2-[1-(3-propan-2-ylazetidin-1-yl)cyclobutyl]acetic acid
SMILESCC(C)C1CN(C2(CC(=O)O)CCC2)C1
InChIInChI=1S/C12H21NO2/c1-9(2)10-7-13(8-10)12(4-3-5-12)6-11(14)15/h9-10H,3-8H2,1-2H3,(H,14,15)
InChIKeyBSTWVGSIERRJMA-UHFFFAOYSA-N
XLogP1.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(azepan-1-yl)-4-propan-2-ylcyclohexyl]acetic acid
CID 64529282
2-[1-(3-tert-butylazetidin-1-yl)cyclohexyl]acetic acid
CID 79694488
1-(3-propan-2-ylazetidin-1-yl)cycloheptane-1-carboxylic acid
CID 79694842
2-[1-(4-methylpiperazin-1-yl)cyclopentyl]acetic acid
CID 65422294
2-[1-(azepan-1-yl)-4-methylcyclohexyl]acetic acid
CID 64527329
2-(1-hydroxy-3-propan-2-ylcyclohexyl)acetic acid
CID 83908321
2-(1-pyrrolidin-1-ylcyclopropyl)acetic acid
CID 83682736
1-[(3-propan-2-ylazetidin-1-yl)methyl]cycloheptane-1-carboxylic acid
CID 113310916
2-(1-piperazin-1-ylcyclohexyl)acetic acid
CID 115035729
2-(1-morpholin-4-ylcycloheptyl)acetic acid
CID 64527342
2-(1-amino-3-propan-2-ylcyclobutyl)acetic acid
CID 103565035
2-[1-[(4-propan-2-ylazepan-1-yl)methyl]cyclopropyl]acetic acid
CID 65497815

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-propan-2-ylazetidin-1-yl)cyclobutyl]acetic acid?
The IUPAC name of 2-[1-(3-propan-2-ylazetidin-1-yl)cyclobutyl]acetic acid (CID 79851479) is 2-[1-(3-propan-2-ylazetidin-1-yl)cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-(3-propan-2-ylazetidin-1-yl)cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-(3-propan-2-ylazetidin-1-yl)cyclobutyl]acetic acid is CC(C)C1CN(C2(CC(=O)O)CCC2)C1.
What is the InChIKey of 2-[1-(3-propan-2-ylazetidin-1-yl)cyclobutyl]acetic acid?
The InChIKey is BSTWVGSIERRJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-9(2)10-7-13(8-10)12(4-3-5-12)6-11(14)15/h9-10H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 2-[1-(3-propan-2-ylazetidin-1-yl)cyclobutyl]acetic acid?
2-[1-(3-propan-2-ylazetidin-1-yl)cyclobutyl]acetic acid has a molecular weight of 211.30 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-propan-2-ylazetidin-1-yl)cyclobutyl]acetic acid is sourced from PubChem (CID 79851479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).