2-[4-(3-aminooxetan-3-yl)phenyl]-2-cyclopentylacetic acid

C16H21NO3 — CID 130407751

IUPAC2-[4-(3-aminooxetan-3-yl)phenyl]-2-cyclopentylacetic acid
SMILESNC1(c2ccc(C(C(=O)O)C3CCCC3)cc2)COC1
InChIInChI=1S/C16H21NO3/c17-16(9-20-10-16)13-7-5-12(6-8-13)14(15(18)19)11-3-1-2-4-11/h5-8,11,14H,1-4,9-10,17H2,(H,18,19)
InChIKeyDMZKWYSYNFXPBV-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.23
Rot. Bonds4

About 2-[4-(3-aminooxetan-3-yl)phenyl]-2-cyclopentylacetic acid

2-[4-(3-aminooxetan-3-yl)phenyl]-2-cyclopentylacetic acid (PubChem CID 130407751) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[4-(3-aminooxetan-3-yl)phenyl]-2-cyclopentylacetic acid.

Molecular Properties

Compound Name2-[4-(3-aminooxetan-3-yl)phenyl]-2-cyclopentylacetic acid
PubChem CID130407751
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name2-[4-(3-aminooxetan-3-yl)phenyl]-2-cyclopentylacetic acid
SMILESNC1(c2ccc(C(C(=O)O)C3CCCC3)cc2)COC1
InChIInChI=1S/C16H21NO3/c17-16(9-20-10-16)13-7-5-12(6-8-13)14(15(18)19)11-3-1-2-4-11/h5-8,11,14H,1-4,9-10,17H2,(H,18,19)
InChIKeyDMZKWYSYNFXPBV-UHFFFAOYSA-N
XLogP2.23
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminooxetan-3-yl)phenyl]-2-cyclopentylacetic acid?
The IUPAC name of 2-[4-(3-aminooxetan-3-yl)phenyl]-2-cyclopentylacetic acid (CID 130407751) is 2-[4-(3-aminooxetan-3-yl)phenyl]-2-cyclopentylacetic acid.
What is the SMILES notation for 2-[4-(3-aminooxetan-3-yl)phenyl]-2-cyclopentylacetic acid?
The canonical SMILES for 2-[4-(3-aminooxetan-3-yl)phenyl]-2-cyclopentylacetic acid is NC1(c2ccc(C(C(=O)O)C3CCCC3)cc2)COC1.
What is the InChIKey of 2-[4-(3-aminooxetan-3-yl)phenyl]-2-cyclopentylacetic acid?
The InChIKey is DMZKWYSYNFXPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c17-16(9-20-10-16)13-7-5-12(6-8-13)14(15(18)19)11-3-1-2-4-11/h5-8,11,14H,1-4,9-10,17H2,(H,18,19).
What are the key properties of 2-[4-(3-aminooxetan-3-yl)phenyl]-2-cyclopentylacetic acid?
2-[4-(3-aminooxetan-3-yl)phenyl]-2-cyclopentylacetic acid has a molecular weight of 275.35 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-aminooxetan-3-yl)phenyl]-2-cyclopentylacetic acid is sourced from PubChem (CID 130407751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).