2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]acetic acid

C17H20F2N2O3 — CID 68749576

IUPAC2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]acetic acid
SMILESC[C@@]1(c2cc(F)cc(F)c2)CNC2(CCCC2)C(=O)N1CC(=O)O
InChIInChI=1S/C17H20F2N2O3/c1-16(11-6-12(18)8-13(19)7-11)10-20-17(4-2-3-5-17)15(24)21(16)9-14(22)23/h6-8,20H,2-5,9-10H2,1H3,(H,22,23)/t16-/m0/s1
InChIKeyKDHXPAWKLBTNCA-INIZCTEOSA-N
MW338.35 g/mol
LogP2.01
Rot. Bonds3

About 2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]acetic acid

2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]acetic acid (PubChem CID 68749576) has the molecular formula C17H20F2N2O3 and a molecular weight of 338.35 g/mol. Its IUPAC name is 2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]acetic acid.

Molecular Properties

Compound Name2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]acetic acid
PubChem CID68749576
Molecular FormulaC17H20F2N2O3
Molecular Weight338.35 g/mol
Exact Mass338.14
IUPAC Name2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]acetic acid
SMILESC[C@@]1(c2cc(F)cc(F)c2)CNC2(CCCC2)C(=O)N1CC(=O)O
InChIInChI=1S/C17H20F2N2O3/c1-16(11-6-12(18)8-13(19)7-11)10-20-17(4-2-3-5-17)15(24)21(16)9-14(22)23/h6-8,20H,2-5,9-10H2,1H3,(H,22,23)/t16-/m0/s1
InChIKeyKDHXPAWKLBTNCA-INIZCTEOSA-N
XLogP2.01
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]acetic acid?
The IUPAC name of 2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]acetic acid (CID 68749576) is 2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]acetic acid.
What is the SMILES notation for 2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]acetic acid?
The canonical SMILES for 2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]acetic acid is C[C@@]1(c2cc(F)cc(F)c2)CNC2(CCCC2)C(=O)N1CC(=O)O.
What is the InChIKey of 2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]acetic acid?
The InChIKey is KDHXPAWKLBTNCA-INIZCTEOSA-N. The full InChI is InChI=1S/C17H20F2N2O3/c1-16(11-6-12(18)8-13(19)7-11)10-20-17(4-2-3-5-17)15(24)21(16)9-14(22)23/h6-8,20H,2-5,9-10H2,1H3,(H,22,23)/t16-/m0/s1.
What are the key properties of 2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]acetic acid?
2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]acetic acid has a molecular weight of 338.35 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]acetic acid is sourced from PubChem (CID 68749576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).