2-(9-benzyl-2,4-dioxo-3,9-diazaspiro[5.5]undecan-3-yl)acetic acid

C18H22N2O4 — CID 23435738

IUPAC2-(9-benzyl-2,4-dioxo-3,9-diazaspiro[5.5]undecan-3-yl)acetic acid
SMILESO=C(O)CN1C(=O)CC2(CCN(Cc3ccccc3)CC2)CC1=O
InChIInChI=1S/C18H22N2O4/c21-15-10-18(11-16(22)20(15)13-17(23)24)6-8-19(9-7-18)12-14-4-2-1-3-5-14/h1-5H,6-13H2,(H,23,24)
InChIKeyNHGKKCFXVGRODP-UHFFFAOYSA-N
MW330.38 g/mol
LogP1.50
Rot. Bonds4

About 2-(9-benzyl-2,4-dioxo-3,9-diazaspiro[5.5]undecan-3-yl)acetic acid

2-(9-benzyl-2,4-dioxo-3,9-diazaspiro[5.5]undecan-3-yl)acetic acid (PubChem CID 23435738) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-(9-benzyl-2,4-dioxo-3,9-diazaspiro[5.5]undecan-3-yl)acetic acid.

Molecular Properties

Compound Name2-(9-benzyl-2,4-dioxo-3,9-diazaspiro[5.5]undecan-3-yl)acetic acid
PubChem CID23435738
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name2-(9-benzyl-2,4-dioxo-3,9-diazaspiro[5.5]undecan-3-yl)acetic acid
SMILESO=C(O)CN1C(=O)CC2(CCN(Cc3ccccc3)CC2)CC1=O
InChIInChI=1S/C18H22N2O4/c21-15-10-18(11-16(22)20(15)13-17(23)24)6-8-19(9-7-18)12-14-4-2-1-3-5-14/h1-5H,6-13H2,(H,23,24)
InChIKeyNHGKKCFXVGRODP-UHFFFAOYSA-N
XLogP1.50
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(8-benzyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetic acid
CID 42065010
2-(9-benzyl-2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-3-yl)acetic acid
CID 23435681
3-(1-benzyl-4-hydroxypiperidin-4-yl)propanoic acid
CID 66322768
8-phenacyl-8-azaspiro[4.5]decane-7,9-dione
CID 46934489
1-(1'-benzylspiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl)ethanone
CID 155899632
1-(4-benzylpiperazin-1-yl)propan-2-one
CID 60649722
7-benzyl-2,7-diazaspiro[3.5]nonane;dihydrochloride
CID 67386428
1-(9-benzyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methoxyethanone
CID 3235224
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
4-(aminomethyl)-1-benzylpiperidin-4-ol;hydrochloride
CID 122236517
7-benzyl-2,7-diazaspiro[3.5]nonane;ethane
CID 145233671
3-benzyl-9-(2-fluoroethyl)-3,9-diazaspiro[5.5]undecane
CID 138056197

Frequently Asked Questions

What is the IUPAC name of 2-(9-benzyl-2,4-dioxo-3,9-diazaspiro[5.5]undecan-3-yl)acetic acid?
The IUPAC name of 2-(9-benzyl-2,4-dioxo-3,9-diazaspiro[5.5]undecan-3-yl)acetic acid (CID 23435738) is 2-(9-benzyl-2,4-dioxo-3,9-diazaspiro[5.5]undecan-3-yl)acetic acid.
What is the SMILES notation for 2-(9-benzyl-2,4-dioxo-3,9-diazaspiro[5.5]undecan-3-yl)acetic acid?
The canonical SMILES for 2-(9-benzyl-2,4-dioxo-3,9-diazaspiro[5.5]undecan-3-yl)acetic acid is O=C(O)CN1C(=O)CC2(CCN(Cc3ccccc3)CC2)CC1=O.
What is the InChIKey of 2-(9-benzyl-2,4-dioxo-3,9-diazaspiro[5.5]undecan-3-yl)acetic acid?
The InChIKey is NHGKKCFXVGRODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c21-15-10-18(11-16(22)20(15)13-17(23)24)6-8-19(9-7-18)12-14-4-2-1-3-5-14/h1-5H,6-13H2,(H,23,24).
What are the key properties of 2-(9-benzyl-2,4-dioxo-3,9-diazaspiro[5.5]undecan-3-yl)acetic acid?
2-(9-benzyl-2,4-dioxo-3,9-diazaspiro[5.5]undecan-3-yl)acetic acid has a molecular weight of 330.38 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-benzyl-2,4-dioxo-3,9-diazaspiro[5.5]undecan-3-yl)acetic acid is sourced from PubChem (CID 23435738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).