5-phenylmethoxycarbonyl-5-azaspiro[2.4]heptane-2-carboxylic acid

C15H17NO4 — CID 18412246

IUPAC5-phenylmethoxycarbonyl-5-azaspiro[2.4]heptane-2-carboxylic acid
SMILESO=C(O)C1CC12CCN(C(=O)OCc1ccccc1)C2
InChIInChI=1S/C15H17NO4/c17-13(18)12-8-15(12)6-7-16(10-15)14(19)20-9-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,17,18)
InChIKeyATCSVGGHJWQTPC-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.12
Rot. Bonds3

About 5-phenylmethoxycarbonyl-5-azaspiro[2.4]heptane-2-carboxylic acid

5-phenylmethoxycarbonyl-5-azaspiro[2.4]heptane-2-carboxylic acid (PubChem CID 18412246) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 5-phenylmethoxycarbonyl-5-azaspiro[2.4]heptane-2-carboxylic acid.

Molecular Properties

Compound Name5-phenylmethoxycarbonyl-5-azaspiro[2.4]heptane-2-carboxylic acid
PubChem CID18412246
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name5-phenylmethoxycarbonyl-5-azaspiro[2.4]heptane-2-carboxylic acid
SMILESO=C(O)C1CC12CCN(C(=O)OCc1ccccc1)C2
InChIInChI=1S/C15H17NO4/c17-13(18)12-8-15(12)6-7-16(10-15)14(19)20-9-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,17,18)
InChIKeyATCSVGGHJWQTPC-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-phenylmethoxycarbonyl-5-azaspiro[2.4]heptane-2-carboxylic acid?
The IUPAC name of 5-phenylmethoxycarbonyl-5-azaspiro[2.4]heptane-2-carboxylic acid (CID 18412246) is 5-phenylmethoxycarbonyl-5-azaspiro[2.4]heptane-2-carboxylic acid.
What is the SMILES notation for 5-phenylmethoxycarbonyl-5-azaspiro[2.4]heptane-2-carboxylic acid?
The canonical SMILES for 5-phenylmethoxycarbonyl-5-azaspiro[2.4]heptane-2-carboxylic acid is O=C(O)C1CC12CCN(C(=O)OCc1ccccc1)C2.
What is the InChIKey of 5-phenylmethoxycarbonyl-5-azaspiro[2.4]heptane-2-carboxylic acid?
The InChIKey is ATCSVGGHJWQTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c17-13(18)12-8-15(12)6-7-16(10-15)14(19)20-9-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,17,18).
What are the key properties of 5-phenylmethoxycarbonyl-5-azaspiro[2.4]heptane-2-carboxylic acid?
5-phenylmethoxycarbonyl-5-azaspiro[2.4]heptane-2-carboxylic acid has a molecular weight of 275.30 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylmethoxycarbonyl-5-azaspiro[2.4]heptane-2-carboxylic acid is sourced from PubChem (CID 18412246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).