(4R)-8-[(5-chloro-2-fluorophenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C17H20ClFN2O3 — CID 97188485

IUPAC(4R)-8-[(5-chloro-2-fluorophenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCN1C(=O)C[C@@H](C(=O)O)C12CCN(Cc1cc(Cl)ccc1F)CC2
InChIInChI=1S/C17H20ClFN2O3/c1-20-15(22)9-13(16(23)24)17(20)4-6-21(7-5-17)10-11-8-12(18)2-3-14(11)19/h2-3,8,13H,4-7,9-10H2,1H3,(H,23,24)/t13-/m0/s1
InChIKeyFWBBLAAJHUWAAA-ZDUSSCGKSA-N
MW354.81 g/mol
LogP2.38
Rot. Bonds3

About (4R)-8-[(5-chloro-2-fluorophenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

(4R)-8-[(5-chloro-2-fluorophenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 97188485) has the molecular formula C17H20ClFN2O3 and a molecular weight of 354.81 g/mol. Its IUPAC name is (4R)-8-[(5-chloro-2-fluorophenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-8-[(5-chloro-2-fluorophenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID97188485
Molecular FormulaC17H20ClFN2O3
Molecular Weight354.81 g/mol
Exact Mass354.11
IUPAC Name(4R)-8-[(5-chloro-2-fluorophenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCN1C(=O)C[C@@H](C(=O)O)C12CCN(Cc1cc(Cl)ccc1F)CC2
InChIInChI=1S/C17H20ClFN2O3/c1-20-15(22)9-13(16(23)24)17(20)4-6-21(7-5-17)10-11-8-12(18)2-3-14(11)19/h2-3,8,13H,4-7,9-10H2,1H3,(H,23,24)/t13-/m0/s1
InChIKeyFWBBLAAJHUWAAA-ZDUSSCGKSA-N
XLogP2.38
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.81
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-8-[(5-chloro-2-fluorophenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of (4R)-8-[(5-chloro-2-fluorophenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 97188485) is (4R)-8-[(5-chloro-2-fluorophenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for (4R)-8-[(5-chloro-2-fluorophenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for (4R)-8-[(5-chloro-2-fluorophenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is CN1C(=O)C[C@@H](C(=O)O)C12CCN(Cc1cc(Cl)ccc1F)CC2.
What is the InChIKey of (4R)-8-[(5-chloro-2-fluorophenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is FWBBLAAJHUWAAA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20ClFN2O3/c1-20-15(22)9-13(16(23)24)17(20)4-6-21(7-5-17)10-11-8-12(18)2-3-14(11)19/h2-3,8,13H,4-7,9-10H2,1H3,(H,23,24)/t13-/m0/s1.
What are the key properties of (4R)-8-[(5-chloro-2-fluorophenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
(4R)-8-[(5-chloro-2-fluorophenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 354.81 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-[(5-chloro-2-fluorophenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 97188485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).