3-(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)propanoic acid

C11H17N3O4 — CID 82148087

IUPAC3-(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)propanoic acid
SMILESCN1C(=O)NC2(CCN(CCC(=O)O)CC2)C1=O
InChIInChI=1S/C11H17N3O4/c1-13-9(17)11(12-10(13)18)3-6-14(7-4-11)5-2-8(15)16/h2-7H2,1H3,(H,12,18)(H,15,16)
InChIKeyVSVRGOBBGKTFPK-UHFFFAOYSA-N
MW255.27 g/mol
LogP-0.52
Rot. Bonds3

About 3-(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)propanoic acid

3-(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)propanoic acid (PubChem CID 82148087) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 3-(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)propanoic acid
PubChem CID82148087
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name3-(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)propanoic acid
SMILESCN1C(=O)NC2(CCN(CCC(=O)O)CC2)C1=O
InChIInChI=1S/C11H17N3O4/c1-13-9(17)11(12-10(13)18)3-6-14(7-4-11)5-2-8(15)16/h2-7H2,1H3,(H,12,18)(H,15,16)
InChIKeyVSVRGOBBGKTFPK-UHFFFAOYSA-N
XLogP-0.52
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)butanoic acid
CID 82148983
3-(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)propanethioamide
CID 82148895
3-[8-(3-hydroxypropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]propanoic acid
CID 82148098
3-[8-[2-(methylamino)-2-oxoethyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]propanoic acid
CID 94752427
4-[8-(3-methylbutyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]butanoic acid
CID 82148990
5-[8-(3-hydroxypropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]pentanoic acid
CID 82149052
3-methyl-8-[5-oxo-5-(2,4,5-trimethoxyphenyl)pentyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 18931144
2-(8-hexyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetic acid
CID 94752309
2-[8-(3-methylbutyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetic acid
CID 82148052
4-[8-[2-(methylamino)-2-oxoethyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]butanoic acid
CID 82148992
8-[2-(4-benzylpiperidin-1-yl)acetyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 46978311
3-[10-(2-carboxyethyl)-1,4,7,10-tetrazabicyclo[5.5.2]tetradecan-4-yl]propanoic acid
CID 22889167

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)propanoic acid?
The IUPAC name of 3-(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)propanoic acid (CID 82148087) is 3-(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)propanoic acid.
What is the SMILES notation for 3-(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)propanoic acid?
The canonical SMILES for 3-(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)propanoic acid is CN1C(=O)NC2(CCN(CCC(=O)O)CC2)C1=O.
What is the InChIKey of 3-(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)propanoic acid?
The InChIKey is VSVRGOBBGKTFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-13-9(17)11(12-10(13)18)3-6-14(7-4-11)5-2-8(15)16/h2-7H2,1H3,(H,12,18)(H,15,16).
What are the key properties of 3-(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)propanoic acid?
3-(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)propanoic acid has a molecular weight of 255.27 g/mol, XLogP of -0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)propanoic acid is sourced from PubChem (CID 82148087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).