2-(1-phenyl-1,3-diazaspiro[4.5]decan-2-yl)acetic acid

C16H22N2O2 — CID 68630953

IUPAC2-(1-phenyl-1,3-diazaspiro[4.5]decan-2-yl)acetic acid
SMILESO=C(O)CC1NCC2(CCCCC2)N1c1ccccc1
InChIInChI=1S/C16H22N2O2/c19-15(20)11-14-17-12-16(9-5-2-6-10-16)18(14)13-7-3-1-4-8-13/h1,3-4,7-8,14,17H,2,5-6,9-12H2,(H,19,20)
InChIKeyFTNPQRXPRNXDJS-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.60
Rot. Bonds3

About 2-(1-phenyl-1,3-diazaspiro[4.5]decan-2-yl)acetic acid

2-(1-phenyl-1,3-diazaspiro[4.5]decan-2-yl)acetic acid (PubChem CID 68630953) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-(1-phenyl-1,3-diazaspiro[4.5]decan-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1-phenyl-1,3-diazaspiro[4.5]decan-2-yl)acetic acid
PubChem CID68630953
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-(1-phenyl-1,3-diazaspiro[4.5]decan-2-yl)acetic acid
SMILESO=C(O)CC1NCC2(CCCCC2)N1c1ccccc1
InChIInChI=1S/C16H22N2O2/c19-15(20)11-14-17-12-16(9-5-2-6-10-16)18(14)13-7-3-1-4-8-13/h1,3-4,7-8,14,17H,2,5-6,9-12H2,(H,19,20)
InChIKeyFTNPQRXPRNXDJS-UHFFFAOYSA-N
XLogP2.60
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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SPIPERONE_met024
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3-[3-[(4-Fluorophenyl)carbamoylamino]pyrrolidin-1-yl]propanoic acid
CID 119958639
3-[[1-(4-Fluorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]propanoic acid
CID 121998176
3-[[1-(4-Fluorophenyl)pyrrolidin-3-yl]methylcarbamoyl-methylamino]propanoic acid
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CID 121998186
3-[[1-[2-(Trifluoromethyl)phenyl]pyrrolidin-3-yl]carbamoylamino]propanoic acid
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3-[Methyl-[[1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]carbamoyl]amino]propanoic acid
CID 122010703

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenyl-1,3-diazaspiro[4.5]decan-2-yl)acetic acid?
The IUPAC name of 2-(1-phenyl-1,3-diazaspiro[4.5]decan-2-yl)acetic acid (CID 68630953) is 2-(1-phenyl-1,3-diazaspiro[4.5]decan-2-yl)acetic acid.
What is the SMILES notation for 2-(1-phenyl-1,3-diazaspiro[4.5]decan-2-yl)acetic acid?
The canonical SMILES for 2-(1-phenyl-1,3-diazaspiro[4.5]decan-2-yl)acetic acid is O=C(O)CC1NCC2(CCCCC2)N1c1ccccc1.
What is the InChIKey of 2-(1-phenyl-1,3-diazaspiro[4.5]decan-2-yl)acetic acid?
The InChIKey is FTNPQRXPRNXDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-15(20)11-14-17-12-16(9-5-2-6-10-16)18(14)13-7-3-1-4-8-13/h1,3-4,7-8,14,17H,2,5-6,9-12H2,(H,19,20).
What are the key properties of 2-(1-phenyl-1,3-diazaspiro[4.5]decan-2-yl)acetic acid?
2-(1-phenyl-1,3-diazaspiro[4.5]decan-2-yl)acetic acid has a molecular weight of 274.36 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenyl-1,3-diazaspiro[4.5]decan-2-yl)acetic acid is sourced from PubChem (CID 68630953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).