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

C10H14N2O4 — CID 51664154

IUPAC(2R)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoic acid
SMILESC[C@H](C(=O)O)N1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C10H14N2O4/c1-6(7(13)14)12-8(15)10(11-9(12)16)4-2-3-5-10/h6H,2-5H2,1H3,(H,11,16)(H,13,14)/t6-/m1/s1
InChIKeyVLCOWQPLEBOIIE-ZCFIWIBFSA-N
MW226.23 g/mol
LogP0.32
Rot. Bonds2

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

(2R)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoic acid (PubChem CID 51664154) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is (2R)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoic acid
PubChem CID51664154
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name(2R)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoic acid
SMILESC[C@H](C(=O)O)N1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C10H14N2O4/c1-6(7(13)14)12-8(15)10(11-9(12)16)4-2-3-5-10/h6H,2-5H2,1H3,(H,11,16)(H,13,14)/t6-/m1/s1
InChIKeyVLCOWQPLEBOIIE-ZCFIWIBFSA-N
XLogP0.32
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 7916573
tert-butyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoate
CID 66337928
3-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoyl-methylamino]propanoic acid
CID 119362768
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(1,1-diphenylethyl)propanamide
CID 56522565
2-[2-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoylamino]phenyl]acetic acid
CID 119353211
(2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2S)-2-phenylpropyl]propanamide
CID 95158015
N-[3-(aminomethyl)pentan-3-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 119570259
3-[1-(1,1-dioxo-1,2,5-thiadiazepan-5-yl)-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 155959407
3-[1-(3-chlorophenyl)-1-oxopropan-2-yl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 3630449
3-[1-(2,3-dimethylpiperazin-1-yl)-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 120572016
(2R)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-3-phenylpropanoic acid
CID 69108687
2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)-3-methylbutanoic acid
CID 82149091

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoic acid?
The IUPAC name of (2R)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoic acid (CID 51664154) is (2R)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoic acid.
What is the SMILES notation for (2R)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoic acid?
The canonical SMILES for (2R)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoic acid is C[C@H](C(=O)O)N1C(=O)NC2(CCCC2)C1=O.
What is the InChIKey of (2R)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoic acid?
The InChIKey is VLCOWQPLEBOIIE-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-6(7(13)14)12-8(15)10(11-9(12)16)4-2-3-5-10/h6H,2-5H2,1H3,(H,11,16)(H,13,14)/t6-/m1/s1.
What are the key properties of (2R)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoic acid?
(2R)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoic acid has a molecular weight of 226.23 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoic acid is sourced from PubChem (CID 51664154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).