8-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C19H24FN3O4 — CID 72863053

IUPAC8-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESO=C(CN1CCC2(CC1)NC(=O)CC2C(=O)O)NCCc1ccc(F)cc1
InChIInChI=1S/C19H24FN3O4/c20-14-3-1-13(2-4-14)5-8-21-17(25)12-23-9-6-19(7-10-23)15(18(26)27)11-16(24)22-19/h1-4,15H,5-12H2,(H,21,25)(H,22,24)(H,26,27)
InChIKeyJUTIBJHDQWIUCU-UHFFFAOYSA-N
MW377.42 g/mol
LogP0.54
Rot. Bonds6

About 8-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

8-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 72863053) has the molecular formula C19H24FN3O4 and a molecular weight of 377.42 g/mol. Its IUPAC name is 8-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name8-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID72863053
Molecular FormulaC19H24FN3O4
Molecular Weight377.42 g/mol
Exact Mass377.18
IUPAC Name8-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESO=C(CN1CCC2(CC1)NC(=O)CC2C(=O)O)NCCc1ccc(F)cc1
InChIInChI=1S/C19H24FN3O4/c20-14-3-1-13(2-4-14)5-8-21-17(25)12-23-9-6-19(7-10-23)15(18(26)27)11-16(24)22-19/h1-4,15H,5-12H2,(H,21,25)(H,22,24)(H,26,27)
InChIKeyJUTIBJHDQWIUCU-UHFFFAOYSA-N
XLogP0.54
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of 8-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 72863053) is 8-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for 8-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for 8-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is O=C(CN1CCC2(CC1)NC(=O)CC2C(=O)O)NCCc1ccc(F)cc1.
What is the InChIKey of 8-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is JUTIBJHDQWIUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O4/c20-14-3-1-13(2-4-14)5-8-21-17(25)12-23-9-6-19(7-10-23)15(18(26)27)11-16(24)22-19/h1-4,15H,5-12H2,(H,21,25)(H,22,24)(H,26,27).
What are the key properties of 8-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
8-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 377.42 g/mol, XLogP of 0.54, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 72863053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).