4-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]butanoic acid

C15H23N3O5 — CID 119352697

IUPAC4-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]butanoic acid
SMILESCN1C(=O)N(CC(=O)NCCCC(=O)O)C(=O)C12CCCCC2
InChIInChI=1S/C15H23N3O5/c1-17-14(23)18(10-11(19)16-9-5-6-12(20)21)13(22)15(17)7-3-2-4-8-15/h2-10H2,1H3,(H,16,19)(H,20,21)
InChIKeyYIHISEKGQSFAMV-UHFFFAOYSA-N
MW325.37 g/mol
LogP0.56
Rot. Bonds6

About 4-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]butanoic acid

4-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]butanoic acid (PubChem CID 119352697) has the molecular formula C15H23N3O5 and a molecular weight of 325.37 g/mol. Its IUPAC name is 4-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]butanoic acid
PubChem CID119352697
Molecular FormulaC15H23N3O5
Molecular Weight325.37 g/mol
Exact Mass325.16
IUPAC Name4-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]butanoic acid
SMILESCN1C(=O)N(CC(=O)NCCCC(=O)O)C(=O)C12CCCCC2
InChIInChI=1S/C15H23N3O5/c1-17-14(23)18(10-11(19)16-9-5-6-12(20)21)13(22)15(17)7-3-2-4-8-15/h2-10H2,1H3,(H,16,19)(H,20,21)
InChIKeyYIHISEKGQSFAMV-UHFFFAOYSA-N
XLogP0.56
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]butanoic acid with MolForge

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Related Compounds

N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 24647115
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2,4,6-trimethylphenyl)methyl]acetamide
CID 86925590
N-(3-methoxypropyl)-2-[4-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperazin-1-yl]acetamide
CID 55429013
N-(3-methylbutylcarbamoyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7850189
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 31544067
ethyl N-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]carbamate
CID 7850188
(2S)-4-methyl-2-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]pentanoic acid
CID 119361468
N-(4-aminocyclohexyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride
CID 119477685
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(2-nitroanilino)ethyl]acetamide
CID 18118427
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 36714045
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-phenylphenyl)acetamide
CID 7850067
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide
CID 39509040

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]butanoic acid?
The IUPAC name of 4-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]butanoic acid (CID 119352697) is 4-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]butanoic acid.
What is the SMILES notation for 4-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]butanoic acid?
The canonical SMILES for 4-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]butanoic acid is CN1C(=O)N(CC(=O)NCCCC(=O)O)C(=O)C12CCCCC2.
What is the InChIKey of 4-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]butanoic acid?
The InChIKey is YIHISEKGQSFAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O5/c1-17-14(23)18(10-11(19)16-9-5-6-12(20)21)13(22)15(17)7-3-2-4-8-15/h2-10H2,1H3,(H,16,19)(H,20,21).
What are the key properties of 4-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]butanoic acid?
4-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]butanoic acid has a molecular weight of 325.37 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]butanoic acid is sourced from PubChem (CID 119352697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).