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

C18H21N3O5 — CID 119367435

IUPAC(2R)-2-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]-3-phenylpropanoic acid
SMILESO=C(CN1C(=O)NC2(CCCC2)C1=O)N[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C18H21N3O5/c22-14(19-13(15(23)24)10-12-6-2-1-3-7-12)11-21-16(25)18(20-17(21)26)8-4-5-9-18/h1-3,6-7,13H,4-5,8-11H2,(H,19,22)(H,20,26)(H,23,24)/t13-/m1/s1
InChIKeyFLFDVFBLMCBLFY-CYBMUJFWSA-N
MW359.38 g/mol
LogP0.66
Rot. Bonds6

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

(2R)-2-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]-3-phenylpropanoic acid (PubChem CID 119367435) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is (2R)-2-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]-3-phenylpropanoic acid
PubChem CID119367435
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC Name(2R)-2-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]-3-phenylpropanoic acid
SMILESO=C(CN1C(=O)NC2(CCCC2)C1=O)N[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C18H21N3O5/c22-14(19-13(15(23)24)10-12-6-2-1-3-7-12)11-21-16(25)18(20-17(21)26)8-4-5-9-18/h1-3,6-7,13H,4-5,8-11H2,(H,19,22)(H,20,26)(H,23,24)/t13-/m1/s1
InChIKeyFLFDVFBLMCBLFY-CYBMUJFWSA-N
XLogP0.66
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 50.66
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

(2R)-2-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoylamino]-3-phenylpropanoic acid
CID 119366873
(2R)-2-[[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-3-phenylpropanoic acid
CID 119366870
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2S)-1-(N-methylanilino)-3-phenylpropan-2-yl]acetamide
CID 162676478
2-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]propanoic acid
CID 119349083
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(3-phenoxyphenyl)methyl]acetamide
CID 39576210
(2R)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-3-phenylpropanoic acid
CID 69108687
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(1S)-1-phenylbutyl]acetamide
CID 7594709
2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 2578344
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(3,3-diphenylpropyl)acetamide
CID 47093726
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2R)-2-phenylpropyl]acetamide
CID 7609905
N-(3-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 7170143
N-(3-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7609681

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]-3-phenylpropanoic acid (CID 119367435) is (2R)-2-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]-3-phenylpropanoic acid is O=C(CN1C(=O)NC2(CCCC2)C1=O)N[C@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]-3-phenylpropanoic acid?
The InChIKey is FLFDVFBLMCBLFY-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21N3O5/c22-14(19-13(15(23)24)10-12-6-2-1-3-7-12)11-21-16(25)18(20-17(21)26)8-4-5-9-18/h1-3,6-7,13H,4-5,8-11H2,(H,19,22)(H,20,26)(H,23,24)/t13-/m1/s1.
What are the key properties of (2R)-2-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]-3-phenylpropanoic acid?
(2R)-2-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]-3-phenylpropanoic acid has a molecular weight of 359.38 g/mol, XLogP of 0.66, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]-3-phenylpropanoic acid is sourced from PubChem (CID 119367435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).