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

C16H18N2O4 — CID 69108687

IUPAC(2R)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-3-phenylpropanoic acid
SMILESO=C(O)[C@@H](Cc1ccccc1)N1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C16H18N2O4/c19-13(20)12(10-11-6-2-1-3-7-11)18-14(21)16(17-15(18)22)8-4-5-9-16/h1-3,6-7,12H,4-5,8-10H2,(H,17,22)(H,19,20)/t12-/m1/s1
InChIKeyRIRMTASVJVURBL-GFCCVEGCSA-N
MW302.33 g/mol
LogP1.55
Rot. Bonds4

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

(2R)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-3-phenylpropanoic acid (PubChem CID 69108687) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is (2R)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-3-phenylpropanoic acid
PubChem CID69108687
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name(2R)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-3-phenylpropanoic acid
SMILESO=C(O)[C@@H](Cc1ccccc1)N1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C16H18N2O4/c19-13(20)12(10-11-6-2-1-3-7-11)18-14(21)16(17-15(18)22)8-4-5-9-16/h1-3,6-7,12H,4-5,8-10H2,(H,17,22)(H,19,20)/t12-/m1/s1
InChIKeyRIRMTASVJVURBL-GFCCVEGCSA-N
XLogP1.55
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.55
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

2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-3-phenylpropanoic acid
CID 54773487
(2R)-2-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]-3-phenylpropanoic acid
CID 119367435
2-(2,7-dioxoazepan-1-yl)-3-phenylpropanoic acid
CID 43446699
(2R)-2-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoylamino]-3-phenylpropanoic acid
CID 119366873
(2R)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoic acid
CID 51664154
2-(2-azaspiro[3.5]nonan-2-yl)-3-phenylpropanoic acid
CID 79687456
2-(3,5-dioxothiomorpholin-4-yl)-3-phenylpropanoic acid
CID 104570352
(2S)-2-(3,4-dichloro-2,5-dioxopyrrol-1-yl)-3-phenylpropanoic acid
CID 67791576
2-[2-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoylamino]phenyl]acetic acid
CID 119353211
2-[(4S,7R)-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl]-3-phenylpropanoic acid
CID 59351949
(2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2S)-2-phenylpropyl]propanamide
CID 95158015
(2S)-2-(1,3-dioxoisoindol-2-yl)-3-(4-methylphenyl)propanoic acid
CID 154722861

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-3-phenylpropanoic acid (CID 69108687) is (2R)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-3-phenylpropanoic acid is O=C(O)[C@@H](Cc1ccccc1)N1C(=O)NC2(CCCC2)C1=O.
What is the InChIKey of (2R)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-3-phenylpropanoic acid?
The InChIKey is RIRMTASVJVURBL-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18N2O4/c19-13(20)12(10-11-6-2-1-3-7-11)18-14(21)16(17-15(18)22)8-4-5-9-16/h1-3,6-7,12H,4-5,8-10H2,(H,17,22)(H,19,20)/t12-/m1/s1.
What are the key properties of (2R)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-3-phenylpropanoic acid?
(2R)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-3-phenylpropanoic acid has a molecular weight of 302.33 g/mol, XLogP of 1.55, 4 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)-3-phenylpropanoic acid is sourced from PubChem (CID 69108687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).