2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]propanoic acid

C14H21N3O5 — CID 119348552

IUPAC2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]propanoic acid
SMILESCC(NC(=O)CN1C(=O)NC2(CCCCC2C)C1=O)C(=O)O
InChIInChI=1S/C14H21N3O5/c1-8-5-3-4-6-14(8)12(21)17(13(22)16-14)7-10(18)15-9(2)11(19)20/h8-9H,3-7H2,1-2H3,(H,15,18)(H,16,22)(H,19,20)
InChIKeyRZCQOEUZFXAUGY-UHFFFAOYSA-N
MW311.34 g/mol
LogP0.08
Rot. Bonds4

About 2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]propanoic acid

2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]propanoic acid (PubChem CID 119348552) has the molecular formula C14H21N3O5 and a molecular weight of 311.34 g/mol. Its IUPAC name is 2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]propanoic acid
PubChem CID119348552
Molecular FormulaC14H21N3O5
Molecular Weight311.34 g/mol
Exact Mass311.15
IUPAC Name2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]propanoic acid
SMILESCC(NC(=O)CN1C(=O)NC2(CCCCC2C)C1=O)C(=O)O
InChIInChI=1S/C14H21N3O5/c1-8-5-3-4-6-14(8)12(21)17(13(22)16-14)7-10(18)15-9(2)11(19)20/h8-9H,3-7H2,1-2H3,(H,15,18)(H,16,22)(H,19,20)
InChIKeyRZCQOEUZFXAUGY-UHFFFAOYSA-N
XLogP0.08
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide
CID 7265087
N-[(2S)-butan-2-yl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 11940450
N-[(2R)-butan-2-yl]-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 11940451
N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 3970224
2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-pentan-3-ylacetamide
CID 2681071
2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(propan-2-ylcarbamoyl)acetamide
CID 3900680
2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 7265457
N-[(2R)-heptan-2-yl]-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 11929918
2-[[2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-propan-2-ylacetamide
CID 25444061
2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetic acid
CID 2106917
N-(3-methylbutyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 16545028
methyl (2S)-4-methyl-2-[[2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]pentanoate
CID 8571825

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]propanoic acid?
The IUPAC name of 2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]propanoic acid (CID 119348552) is 2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]propanoic acid is CC(NC(=O)CN1C(=O)NC2(CCCCC2C)C1=O)C(=O)O.
What is the InChIKey of 2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]propanoic acid?
The InChIKey is RZCQOEUZFXAUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O5/c1-8-5-3-4-6-14(8)12(21)17(13(22)16-14)7-10(18)15-9(2)11(19)20/h8-9H,3-7H2,1-2H3,(H,15,18)(H,16,22)(H,19,20).
What are the key properties of 2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]propanoic acid?
2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]propanoic acid has a molecular weight of 311.34 g/mol, XLogP of 0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 119348552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).