2-[2-(2-adamantyl)-4,4-dimethyl-3-oxodiazetidin-1-yl]acetic acid

C16H24N2O3 — CID 68557313

IUPAC2-[2-(2-adamantyl)-4,4-dimethyl-3-oxodiazetidin-1-yl]acetic acid
SMILESCC1(C)C(=O)N(C2C3CC4CC(C3)CC2C4)N1CC(=O)O
InChIInChI=1S/C16H24N2O3/c1-16(2)15(21)18(17(16)8-13(19)20)14-11-4-9-3-10(6-11)7-12(14)5-9/h9-12,14H,3-8H2,1-2H3,(H,19,20)
InChIKeyLUGPMARIUZFBRO-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.73
Rot. Bonds3

About 2-[2-(2-adamantyl)-4,4-dimethyl-3-oxodiazetidin-1-yl]acetic acid

2-[2-(2-adamantyl)-4,4-dimethyl-3-oxodiazetidin-1-yl]acetic acid (PubChem CID 68557313) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[2-(2-adamantyl)-4,4-dimethyl-3-oxodiazetidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-adamantyl)-4,4-dimethyl-3-oxodiazetidin-1-yl]acetic acid
PubChem CID68557313
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[2-(2-adamantyl)-4,4-dimethyl-3-oxodiazetidin-1-yl]acetic acid
SMILESCC1(C)C(=O)N(C2C3CC4CC(C3)CC2C4)N1CC(=O)O
InChIInChI=1S/C16H24N2O3/c1-16(2)15(21)18(17(16)8-13(19)20)14-11-4-9-3-10(6-11)7-12(14)5-9/h9-12,14H,3-8H2,1-2H3,(H,19,20)
InChIKeyLUGPMARIUZFBRO-UHFFFAOYSA-N
XLogP1.73
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-adamantyl)-4,4-dimethyl-3-oxodiazetidin-1-yl]acetic acid?
The IUPAC name of 2-[2-(2-adamantyl)-4,4-dimethyl-3-oxodiazetidin-1-yl]acetic acid (CID 68557313) is 2-[2-(2-adamantyl)-4,4-dimethyl-3-oxodiazetidin-1-yl]acetic acid.
What is the SMILES notation for 2-[2-(2-adamantyl)-4,4-dimethyl-3-oxodiazetidin-1-yl]acetic acid?
The canonical SMILES for 2-[2-(2-adamantyl)-4,4-dimethyl-3-oxodiazetidin-1-yl]acetic acid is CC1(C)C(=O)N(C2C3CC4CC(C3)CC2C4)N1CC(=O)O.
What is the InChIKey of 2-[2-(2-adamantyl)-4,4-dimethyl-3-oxodiazetidin-1-yl]acetic acid?
The InChIKey is LUGPMARIUZFBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-16(2)15(21)18(17(16)8-13(19)20)14-11-4-9-3-10(6-11)7-12(14)5-9/h9-12,14H,3-8H2,1-2H3,(H,19,20).
What are the key properties of 2-[2-(2-adamantyl)-4,4-dimethyl-3-oxodiazetidin-1-yl]acetic acid?
2-[2-(2-adamantyl)-4,4-dimethyl-3-oxodiazetidin-1-yl]acetic acid has a molecular weight of 292.38 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-adamantyl)-4,4-dimethyl-3-oxodiazetidin-1-yl]acetic acid is sourced from PubChem (CID 68557313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).