2-[3-[(3-propan-2-ylphenyl)methylamino]cyclobutyl]acetic acid

C16H23NO2 — CID 138056035

IUPAC2-[3-[(3-propan-2-ylphenyl)methylamino]cyclobutyl]acetic acid
SMILESCC(C)c1cccc(CNC2CC(CC(=O)O)C2)c1
InChIInChI=1S/C16H23NO2/c1-11(2)14-5-3-4-12(6-14)10-17-15-7-13(8-15)9-16(18)19/h3-6,11,13,15,17H,7-10H2,1-2H3,(H,18,19)
InChIKeyJDAAKNKVDBKHLH-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.15
Rot. Bonds6

About 2-[3-[(3-propan-2-ylphenyl)methylamino]cyclobutyl]acetic acid

2-[3-[(3-propan-2-ylphenyl)methylamino]cyclobutyl]acetic acid (PubChem CID 138056035) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[3-[(3-propan-2-ylphenyl)methylamino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(3-propan-2-ylphenyl)methylamino]cyclobutyl]acetic acid
PubChem CID138056035
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-[3-[(3-propan-2-ylphenyl)methylamino]cyclobutyl]acetic acid
SMILESCC(C)c1cccc(CNC2CC(CC(=O)O)C2)c1
InChIInChI=1S/C16H23NO2/c1-11(2)14-5-3-4-12(6-14)10-17-15-7-13(8-15)9-16(18)19/h3-6,11,13,15,17H,7-10H2,1-2H3,(H,18,19)
InChIKeyJDAAKNKVDBKHLH-UHFFFAOYSA-N
XLogP3.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-propan-2-ylphenyl)methylamino]cyclobutyl]acetic acid?
The IUPAC name of 2-[3-[(3-propan-2-ylphenyl)methylamino]cyclobutyl]acetic acid (CID 138056035) is 2-[3-[(3-propan-2-ylphenyl)methylamino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[3-[(3-propan-2-ylphenyl)methylamino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[3-[(3-propan-2-ylphenyl)methylamino]cyclobutyl]acetic acid is CC(C)c1cccc(CNC2CC(CC(=O)O)C2)c1.
What is the InChIKey of 2-[3-[(3-propan-2-ylphenyl)methylamino]cyclobutyl]acetic acid?
The InChIKey is JDAAKNKVDBKHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11(2)14-5-3-4-12(6-14)10-17-15-7-13(8-15)9-16(18)19/h3-6,11,13,15,17H,7-10H2,1-2H3,(H,18,19).
What are the key properties of 2-[3-[(3-propan-2-ylphenyl)methylamino]cyclobutyl]acetic acid?
2-[3-[(3-propan-2-ylphenyl)methylamino]cyclobutyl]acetic acid has a molecular weight of 261.37 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-propan-2-ylphenyl)methylamino]cyclobutyl]acetic acid is sourced from PubChem (CID 138056035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).