2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetic acid

C13H20N2O4 — CID 3289696

IUPAC2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetic acid
SMILESCC1CC(C)(C)CC2(C1)NC(=O)N(CC(=O)O)C2=O
InChIInChI=1S/C13H20N2O4/c1-8-4-12(2,3)7-13(5-8)10(18)15(6-9(16)17)11(19)14-13/h8H,4-7H2,1-3H3,(H,14,19)(H,16,17)
InChIKeyMWVCTRQTVQEROJ-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.21
Rot. Bonds2

About 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetic acid

2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetic acid (PubChem CID 3289696) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetic acid.

Molecular Properties

Compound Name2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetic acid
PubChem CID3289696
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetic acid
SMILESCC1CC(C)(C)CC2(C1)NC(=O)N(CC(=O)O)C2=O
InChIInChI=1S/C13H20N2O4/c1-8-4-12(2,3)7-13(5-8)10(18)15(6-9(16)17)11(19)14-13/h8H,4-7H2,1-3H3,(H,14,19)(H,16,17)
InChIKeyMWVCTRQTVQEROJ-UHFFFAOYSA-N
XLogP1.21
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetic acid?
The IUPAC name of 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetic acid (CID 3289696) is 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetic acid.
What is the SMILES notation for 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetic acid?
The canonical SMILES for 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetic acid is CC1CC(C)(C)CC2(C1)NC(=O)N(CC(=O)O)C2=O.
What is the InChIKey of 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetic acid?
The InChIKey is MWVCTRQTVQEROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-8-4-12(2,3)7-13(5-8)10(18)15(6-9(16)17)11(19)14-13/h8H,4-7H2,1-3H3,(H,14,19)(H,16,17).
What are the key properties of 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetic acid?
2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetic acid has a molecular weight of 268.31 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetic acid is sourced from PubChem (CID 3289696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).