2-[1-[(2-methyl-2-phenylpropanoyl)amino]cyclobutyl]acetic acid

C16H21NO3 — CID 79845796

IUPAC2-[1-[(2-methyl-2-phenylpropanoyl)amino]cyclobutyl]acetic acid
SMILESCC(C)(C(=O)NC1(CC(=O)O)CCC1)c1ccccc1
InChIInChI=1S/C16H21NO3/c1-15(2,12-7-4-3-5-8-12)14(20)17-16(9-6-10-16)11-13(18)19/h3-5,7-8H,6,9-11H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyAIKLRQGEXGVWOF-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.48
Rot. Bonds5

About 2-[1-[(2-methyl-2-phenylpropanoyl)amino]cyclobutyl]acetic acid

2-[1-[(2-methyl-2-phenylpropanoyl)amino]cyclobutyl]acetic acid (PubChem CID 79845796) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[1-[(2-methyl-2-phenylpropanoyl)amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-methyl-2-phenylpropanoyl)amino]cyclobutyl]acetic acid
PubChem CID79845796
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name2-[1-[(2-methyl-2-phenylpropanoyl)amino]cyclobutyl]acetic acid
SMILESCC(C)(C(=O)NC1(CC(=O)O)CCC1)c1ccccc1
InChIInChI=1S/C16H21NO3/c1-15(2,12-7-4-3-5-8-12)14(20)17-16(9-6-10-16)11-13(18)19/h3-5,7-8H,6,9-11H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyAIKLRQGEXGVWOF-UHFFFAOYSA-N
XLogP2.48
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methyl-2-phenylpropanoyl)amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(2-methyl-2-phenylpropanoyl)amino]cyclobutyl]acetic acid (CID 79845796) is 2-[1-[(2-methyl-2-phenylpropanoyl)amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(2-methyl-2-phenylpropanoyl)amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(2-methyl-2-phenylpropanoyl)amino]cyclobutyl]acetic acid is CC(C)(C(=O)NC1(CC(=O)O)CCC1)c1ccccc1.
What is the InChIKey of 2-[1-[(2-methyl-2-phenylpropanoyl)amino]cyclobutyl]acetic acid?
The InChIKey is AIKLRQGEXGVWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-15(2,12-7-4-3-5-8-12)14(20)17-16(9-6-10-16)11-13(18)19/h3-5,7-8H,6,9-11H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 2-[1-[(2-methyl-2-phenylpropanoyl)amino]cyclobutyl]acetic acid?
2-[1-[(2-methyl-2-phenylpropanoyl)amino]cyclobutyl]acetic acid has a molecular weight of 275.35 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methyl-2-phenylpropanoyl)amino]cyclobutyl]acetic acid is sourced from PubChem (CID 79845796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).