2-[1-(3-amino-2,2,3-trimethylbutanoyl)azetidin-3-yl]acetic acid

C12H22N2O3 — CID 65266708

IUPAC2-[1-(3-amino-2,2,3-trimethylbutanoyl)azetidin-3-yl]acetic acid
SMILESCC(C)(N)C(C)(C)C(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C12H22N2O3/c1-11(2,12(3,4)13)10(17)14-6-8(7-14)5-9(15)16/h8H,5-7,13H2,1-4H3,(H,15,16)
InChIKeySJNDZIAHWCVMGE-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.68
Rot. Bonds4

About 2-[1-(3-amino-2,2,3-trimethylbutanoyl)azetidin-3-yl]acetic acid

2-[1-(3-amino-2,2,3-trimethylbutanoyl)azetidin-3-yl]acetic acid (PubChem CID 65266708) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[1-(3-amino-2,2,3-trimethylbutanoyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-amino-2,2,3-trimethylbutanoyl)azetidin-3-yl]acetic acid
PubChem CID65266708
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[1-(3-amino-2,2,3-trimethylbutanoyl)azetidin-3-yl]acetic acid
SMILESCC(C)(N)C(C)(C)C(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C12H22N2O3/c1-11(2,12(3,4)13)10(17)14-6-8(7-14)5-9(15)16/h8H,5-7,13H2,1-4H3,(H,15,16)
InChIKeySJNDZIAHWCVMGE-UHFFFAOYSA-N
XLogP0.68
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-amino-2,2,3-trimethylbutanoyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(3-amino-2,2,3-trimethylbutanoyl)azetidin-3-yl]acetic acid (CID 65266708) is 2-[1-(3-amino-2,2,3-trimethylbutanoyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(3-amino-2,2,3-trimethylbutanoyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(3-amino-2,2,3-trimethylbutanoyl)azetidin-3-yl]acetic acid is CC(C)(N)C(C)(C)C(=O)N1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-(3-amino-2,2,3-trimethylbutanoyl)azetidin-3-yl]acetic acid?
The InChIKey is SJNDZIAHWCVMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-11(2,12(3,4)13)10(17)14-6-8(7-14)5-9(15)16/h8H,5-7,13H2,1-4H3,(H,15,16).
What are the key properties of 2-[1-(3-amino-2,2,3-trimethylbutanoyl)azetidin-3-yl]acetic acid?
2-[1-(3-amino-2,2,3-trimethylbutanoyl)azetidin-3-yl]acetic acid has a molecular weight of 242.32 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-amino-2,2,3-trimethylbutanoyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 65266708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).