3-[2-[(2-phenylphenyl)carbamoyloxy]-7-azaspiro[3.5]nonan-7-yl]propanoic acid

C24H28N2O4 — CID 122689808

IUPAC3-[2-[(2-phenylphenyl)carbamoyloxy]-7-azaspiro[3.5]nonan-7-yl]propanoic acid
SMILESO=C(O)CCN1CCC2(CC1)CC(OC(=O)Nc1ccccc1-c1ccccc1)C2
InChIInChI=1S/C24H28N2O4/c27-22(28)10-13-26-14-11-24(12-15-26)16-19(17-24)30-23(29)25-21-9-5-4-8-20(21)18-6-2-1-3-7-18/h1-9,19H,10-17H2,(H,25,29)(H,27,28)
InChIKeySMAASDNRMODOEZ-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.62
Rot. Bonds6

About 3-[2-[(2-phenylphenyl)carbamoyloxy]-7-azaspiro[3.5]nonan-7-yl]propanoic acid

3-[2-[(2-phenylphenyl)carbamoyloxy]-7-azaspiro[3.5]nonan-7-yl]propanoic acid (PubChem CID 122689808) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is 3-[2-[(2-phenylphenyl)carbamoyloxy]-7-azaspiro[3.5]nonan-7-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-[(2-phenylphenyl)carbamoyloxy]-7-azaspiro[3.5]nonan-7-yl]propanoic acid
PubChem CID122689808
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name3-[2-[(2-phenylphenyl)carbamoyloxy]-7-azaspiro[3.5]nonan-7-yl]propanoic acid
SMILESO=C(O)CCN1CCC2(CC1)CC(OC(=O)Nc1ccccc1-c1ccccc1)C2
InChIInChI=1S/C24H28N2O4/c27-22(28)10-13-26-14-11-24(12-15-26)16-19(17-24)30-23(29)25-21-9-5-4-8-20(21)18-6-2-1-3-7-18/h1-9,19H,10-17H2,(H,25,29)(H,27,28)
InChIKeySMAASDNRMODOEZ-UHFFFAOYSA-N
XLogP4.62
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-phenylphenyl)carbamoyloxy]-7-azaspiro[3.5]nonan-7-yl]propanoic acid?
The IUPAC name of 3-[2-[(2-phenylphenyl)carbamoyloxy]-7-azaspiro[3.5]nonan-7-yl]propanoic acid (CID 122689808) is 3-[2-[(2-phenylphenyl)carbamoyloxy]-7-azaspiro[3.5]nonan-7-yl]propanoic acid.
What is the SMILES notation for 3-[2-[(2-phenylphenyl)carbamoyloxy]-7-azaspiro[3.5]nonan-7-yl]propanoic acid?
The canonical SMILES for 3-[2-[(2-phenylphenyl)carbamoyloxy]-7-azaspiro[3.5]nonan-7-yl]propanoic acid is O=C(O)CCN1CCC2(CC1)CC(OC(=O)Nc1ccccc1-c1ccccc1)C2.
What is the InChIKey of 3-[2-[(2-phenylphenyl)carbamoyloxy]-7-azaspiro[3.5]nonan-7-yl]propanoic acid?
The InChIKey is SMAASDNRMODOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c27-22(28)10-13-26-14-11-24(12-15-26)16-19(17-24)30-23(29)25-21-9-5-4-8-20(21)18-6-2-1-3-7-18/h1-9,19H,10-17H2,(H,25,29)(H,27,28).
What are the key properties of 3-[2-[(2-phenylphenyl)carbamoyloxy]-7-azaspiro[3.5]nonan-7-yl]propanoic acid?
3-[2-[(2-phenylphenyl)carbamoyloxy]-7-azaspiro[3.5]nonan-7-yl]propanoic acid has a molecular weight of 408.50 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-phenylphenyl)carbamoyloxy]-7-azaspiro[3.5]nonan-7-yl]propanoic acid is sourced from PubChem (CID 122689808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).