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

C16H18F2N2O3 — CID 68704904

IUPAC2-[(8S)-8-(3,5-difluorophenyl)-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]acetic acid
SMILESO=C(O)CN1C(=O)C2(CCCC2)NC[C@@H]1c1cc(F)cc(F)c1
InChIInChI=1S/C16H18F2N2O3/c17-11-5-10(6-12(18)7-11)13-8-19-16(3-1-2-4-16)15(23)20(13)9-14(21)22/h5-7,13,19H,1-4,8-9H2,(H,21,22)/t13-/m1/s1
InChIKeyBUUJAJDFPMXNMQ-CYBMUJFWSA-N
MW324.33 g/mol
LogP1.84
Rot. Bonds3

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

2-[(8S)-8-(3,5-difluorophenyl)-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]acetic acid (PubChem CID 68704904) has the molecular formula C16H18F2N2O3 and a molecular weight of 324.33 g/mol. Its IUPAC name is 2-[(8S)-8-(3,5-difluorophenyl)-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]acetic acid.

Molecular Properties

Compound Name2-[(8S)-8-(3,5-difluorophenyl)-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]acetic acid
PubChem CID68704904
Molecular FormulaC16H18F2N2O3
Molecular Weight324.33 g/mol
Exact Mass324.13
IUPAC Name2-[(8S)-8-(3,5-difluorophenyl)-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]acetic acid
SMILESO=C(O)CN1C(=O)C2(CCCC2)NC[C@@H]1c1cc(F)cc(F)c1
InChIInChI=1S/C16H18F2N2O3/c17-11-5-10(6-12(18)7-11)13-8-19-16(3-1-2-4-16)15(23)20(13)9-14(21)22/h5-7,13,19H,1-4,8-9H2,(H,21,22)/t13-/m1/s1
InChIKeyBUUJAJDFPMXNMQ-CYBMUJFWSA-N
XLogP1.84
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(8S)-8-(3,5-difluorophenyl)-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]acetic acid?
The IUPAC name of 2-[(8S)-8-(3,5-difluorophenyl)-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]acetic acid (CID 68704904) is 2-[(8S)-8-(3,5-difluorophenyl)-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]acetic acid.
What is the SMILES notation for 2-[(8S)-8-(3,5-difluorophenyl)-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]acetic acid?
The canonical SMILES for 2-[(8S)-8-(3,5-difluorophenyl)-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]acetic acid is O=C(O)CN1C(=O)C2(CCCC2)NC[C@@H]1c1cc(F)cc(F)c1.
What is the InChIKey of 2-[(8S)-8-(3,5-difluorophenyl)-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]acetic acid?
The InChIKey is BUUJAJDFPMXNMQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H18F2N2O3/c17-11-5-10(6-12(18)7-11)13-8-19-16(3-1-2-4-16)15(23)20(13)9-14(21)22/h5-7,13,19H,1-4,8-9H2,(H,21,22)/t13-/m1/s1.
What are the key properties of 2-[(8S)-8-(3,5-difluorophenyl)-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]acetic acid?
2-[(8S)-8-(3,5-difluorophenyl)-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]acetic acid has a molecular weight of 324.33 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8S)-8-(3,5-difluorophenyl)-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]acetic acid is sourced from PubChem (CID 68704904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).