2-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]propanoic acid

C12H17N3O5 — CID 119349083

IUPAC2-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]propanoic acid
SMILESCC(NC(=O)CN1C(=O)NC2(CCCC2)C1=O)C(=O)O
InChIInChI=1S/C12H17N3O5/c1-7(9(17)18)13-8(16)6-15-10(19)12(14-11(15)20)4-2-3-5-12/h7H,2-6H2,1H3,(H,13,16)(H,14,20)(H,17,18)
InChIKeyVFEYBXNISXHGAL-UHFFFAOYSA-N
MW283.28 g/mol
LogP-0.56
Rot. Bonds4

About 2-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]propanoic acid

2-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]propanoic acid (PubChem CID 119349083) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is 2-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]propanoic acid
PubChem CID119349083
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name2-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]propanoic acid
SMILESCC(NC(=O)CN1C(=O)NC2(CCCC2)C1=O)C(=O)O
InChIInChI=1S/C12H17N3O5/c1-7(9(17)18)13-8(16)6-15-10(19)12(14-11(15)20)4-2-3-5-12/h7H,2-6H2,1H3,(H,13,16)(H,14,20)(H,17,18)
InChIKeyVFEYBXNISXHGAL-UHFFFAOYSA-N
XLogP-0.56
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 5-0.56
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-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]propanoic acid
CID 119348552
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 4879409
(2R)-2-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoic acid
CID 119370203
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 7277395
(2R)-2-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]-3-phenylpropanoic acid
CID 119367435
(2S)-2-[[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]amino]propanoic acid
CID 119238616
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 40939205
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
CID 41046411
(2R)-N-ethyl-2-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]propanamide
CID 9401289
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(1S)-1-phenylbutyl]acetamide
CID 7594709
N-[1-(3,4-difluorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 51150839
N-tert-butyl-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 2578448

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]propanoic acid?
The IUPAC name of 2-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]propanoic acid (CID 119349083) is 2-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]propanoic acid is CC(NC(=O)CN1C(=O)NC2(CCCC2)C1=O)C(=O)O.
What is the InChIKey of 2-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]propanoic acid?
The InChIKey is VFEYBXNISXHGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5/c1-7(9(17)18)13-8(16)6-15-10(19)12(14-11(15)20)4-2-3-5-12/h7H,2-6H2,1H3,(H,13,16)(H,14,20)(H,17,18).
What are the key properties of 2-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]propanoic acid?
2-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]propanoic acid has a molecular weight of 283.28 g/mol, XLogP of -0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 119349083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).