2-[1-(1-oxo-2-phenyl-2,9-diazaspiro[4.5]decan-9-yl)cyclobutyl]acetic acid

C20H26N2O3 — CID 131686322

IUPAC2-[1-(1-oxo-2-phenyl-2,9-diazaspiro[4.5]decan-9-yl)cyclobutyl]acetic acid
SMILESO=C(O)CC1(N2CCCC3(CCN(c4ccccc4)C3=O)C2)CCC1
InChIInChI=1S/C20H26N2O3/c23-17(24)14-20(9-4-10-20)21-12-5-8-19(15-21)11-13-22(18(19)25)16-6-2-1-3-7-16/h1-3,6-7H,4-5,8-15H2,(H,23,24)
InChIKeyDPVMQQZLRQANNW-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.90
Rot. Bonds4

About 2-[1-(1-oxo-2-phenyl-2,9-diazaspiro[4.5]decan-9-yl)cyclobutyl]acetic acid

2-[1-(1-oxo-2-phenyl-2,9-diazaspiro[4.5]decan-9-yl)cyclobutyl]acetic acid (PubChem CID 131686322) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[1-(1-oxo-2-phenyl-2,9-diazaspiro[4.5]decan-9-yl)cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-oxo-2-phenyl-2,9-diazaspiro[4.5]decan-9-yl)cyclobutyl]acetic acid
PubChem CID131686322
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name2-[1-(1-oxo-2-phenyl-2,9-diazaspiro[4.5]decan-9-yl)cyclobutyl]acetic acid
SMILESO=C(O)CC1(N2CCCC3(CCN(c4ccccc4)C3=O)C2)CCC1
InChIInChI=1S/C20H26N2O3/c23-17(24)14-20(9-4-10-20)21-12-5-8-19(15-21)11-13-22(18(19)25)16-6-2-1-3-7-16/h1-3,6-7H,4-5,8-15H2,(H,23,24)
InChIKeyDPVMQQZLRQANNW-UHFFFAOYSA-N
XLogP2.90
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(1-oxo-2-phenyl-2,9-diazaspiro[4.5]decan-9-yl)cyclobutyl]acetic acid with MolForge

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Related Compounds

(5R)-9-(2-hydroxyethyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 97490514
9-(cyclopropanecarbonyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 155875537
9-(2-ethoxyacetyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 118738778
9-(3-methoxypropanoyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 118738780
tert-butyl (5S)-1-oxo-2-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 96531973
(5R)-9-[(1-methylpyrazol-4-yl)methyl]-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 97490258
2-phenyl-9-(pyridazine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131638499
9-(3-fluorocyclobutanecarbonyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 131679959
9-(2,6-difluorophenyl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 23135255
9-[2-(1-methoxycyclobutyl)acetyl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
CID 131688887
8-hydroxy-2-phenyl-8-propyl-2-azaspiro[4.5]decan-1-one
CID 123999552
9-(2,5-difluorophenyl)sulfonyl-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 23135289

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-oxo-2-phenyl-2,9-diazaspiro[4.5]decan-9-yl)cyclobutyl]acetic acid?
The IUPAC name of 2-[1-(1-oxo-2-phenyl-2,9-diazaspiro[4.5]decan-9-yl)cyclobutyl]acetic acid (CID 131686322) is 2-[1-(1-oxo-2-phenyl-2,9-diazaspiro[4.5]decan-9-yl)cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-(1-oxo-2-phenyl-2,9-diazaspiro[4.5]decan-9-yl)cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-(1-oxo-2-phenyl-2,9-diazaspiro[4.5]decan-9-yl)cyclobutyl]acetic acid is O=C(O)CC1(N2CCCC3(CCN(c4ccccc4)C3=O)C2)CCC1.
What is the InChIKey of 2-[1-(1-oxo-2-phenyl-2,9-diazaspiro[4.5]decan-9-yl)cyclobutyl]acetic acid?
The InChIKey is DPVMQQZLRQANNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c23-17(24)14-20(9-4-10-20)21-12-5-8-19(15-21)11-13-22(18(19)25)16-6-2-1-3-7-16/h1-3,6-7H,4-5,8-15H2,(H,23,24).
What are the key properties of 2-[1-(1-oxo-2-phenyl-2,9-diazaspiro[4.5]decan-9-yl)cyclobutyl]acetic acid?
2-[1-(1-oxo-2-phenyl-2,9-diazaspiro[4.5]decan-9-yl)cyclobutyl]acetic acid has a molecular weight of 342.44 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-oxo-2-phenyl-2,9-diazaspiro[4.5]decan-9-yl)cyclobutyl]acetic acid is sourced from PubChem (CID 131686322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).