2-[1-(3,3-dimethylbutan-2-ylcarbamoyl)azetidin-3-yl]acetic acid

C12H22N2O3 — CID 104829196

IUPAC2-[1-(3,3-dimethylbutan-2-ylcarbamoyl)azetidin-3-yl]acetic acid
SMILESCC(NC(=O)N1CC(CC(=O)O)C1)C(C)(C)C
InChIInChI=1S/C12H22N2O3/c1-8(12(2,3)4)13-11(17)14-6-9(7-14)5-10(15)16/h8-9H,5-7H2,1-4H3,(H,13,17)(H,15,16)
InChIKeyJPDJEJGSEQTXHD-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.54
Rot. Bonds3

About 2-[1-(3,3-dimethylbutan-2-ylcarbamoyl)azetidin-3-yl]acetic acid

2-[1-(3,3-dimethylbutan-2-ylcarbamoyl)azetidin-3-yl]acetic acid (PubChem CID 104829196) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[1-(3,3-dimethylbutan-2-ylcarbamoyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3,3-dimethylbutan-2-ylcarbamoyl)azetidin-3-yl]acetic acid
PubChem CID104829196
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[1-(3,3-dimethylbutan-2-ylcarbamoyl)azetidin-3-yl]acetic acid
SMILESCC(NC(=O)N1CC(CC(=O)O)C1)C(C)(C)C
InChIInChI=1S/C12H22N2O3/c1-8(12(2,3)4)13-11(17)14-6-9(7-14)5-10(15)16/h8-9H,5-7H2,1-4H3,(H,13,17)(H,15,16)
InChIKeyJPDJEJGSEQTXHD-UHFFFAOYSA-N
XLogP1.54
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,3-dimethylbutan-2-ylcarbamoyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(3,3-dimethylbutan-2-ylcarbamoyl)azetidin-3-yl]acetic acid (CID 104829196) is 2-[1-(3,3-dimethylbutan-2-ylcarbamoyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(3,3-dimethylbutan-2-ylcarbamoyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(3,3-dimethylbutan-2-ylcarbamoyl)azetidin-3-yl]acetic acid is CC(NC(=O)N1CC(CC(=O)O)C1)C(C)(C)C.
What is the InChIKey of 2-[1-(3,3-dimethylbutan-2-ylcarbamoyl)azetidin-3-yl]acetic acid?
The InChIKey is JPDJEJGSEQTXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-8(12(2,3)4)13-11(17)14-6-9(7-14)5-10(15)16/h8-9H,5-7H2,1-4H3,(H,13,17)(H,15,16).
What are the key properties of 2-[1-(3,3-dimethylbutan-2-ylcarbamoyl)azetidin-3-yl]acetic acid?
2-[1-(3,3-dimethylbutan-2-ylcarbamoyl)azetidin-3-yl]acetic acid has a molecular weight of 242.32 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,3-dimethylbutan-2-ylcarbamoyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 104829196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).