7-phenylmethoxycarbonyl-7-azabicyclo[2.2.1]heptane-2-carboxylic acid

C15H17NO4 — CID 58685882

IUPAC7-phenylmethoxycarbonyl-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(O)C1CC2CCC1N2C(=O)OCc1ccccc1
InChIInChI=1S/C15H17NO4/c17-14(18)12-8-11-6-7-13(12)16(11)15(19)20-9-10-4-2-1-3-5-10/h1-5,11-13H,6-9H2,(H,17,18)
InChIKeyORCSDOIXZYXXMU-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.26
Rot. Bonds3

About 7-phenylmethoxycarbonyl-7-azabicyclo[2.2.1]heptane-2-carboxylic acid

7-phenylmethoxycarbonyl-7-azabicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 58685882) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 7-phenylmethoxycarbonyl-7-azabicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name7-phenylmethoxycarbonyl-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID58685882
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name7-phenylmethoxycarbonyl-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(O)C1CC2CCC1N2C(=O)OCc1ccccc1
InChIInChI=1S/C15H17NO4/c17-14(18)12-8-11-6-7-13(12)16(11)15(19)20-9-10-4-2-1-3-5-10/h1-5,11-13H,6-9H2,(H,17,18)
InChIKeyORCSDOIXZYXXMU-UHFFFAOYSA-N
XLogP2.26
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-phenylmethoxycarbonyl-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 7-phenylmethoxycarbonyl-7-azabicyclo[2.2.1]heptane-2-carboxylic acid (CID 58685882) is 7-phenylmethoxycarbonyl-7-azabicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 7-phenylmethoxycarbonyl-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 7-phenylmethoxycarbonyl-7-azabicyclo[2.2.1]heptane-2-carboxylic acid is O=C(O)C1CC2CCC1N2C(=O)OCc1ccccc1.
What is the InChIKey of 7-phenylmethoxycarbonyl-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is ORCSDOIXZYXXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c17-14(18)12-8-11-6-7-13(12)16(11)15(19)20-9-10-4-2-1-3-5-10/h1-5,11-13H,6-9H2,(H,17,18).
What are the key properties of 7-phenylmethoxycarbonyl-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
7-phenylmethoxycarbonyl-7-azabicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 275.30 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenylmethoxycarbonyl-7-azabicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 58685882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).