(2S)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-methylpentanoic acid

C14H22N2O4 — CID 15895597

IUPAC(2S)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-methylpentanoic acid
SMILESCC(C)C[C@@H](C(=O)O)N1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C14H22N2O4/c1-9(2)8-10(11(17)18)16-12(19)14(15-13(16)20)6-4-3-5-7-14/h9-10H,3-8H2,1-2H3,(H,15,20)(H,17,18)/t10-/m0/s1
InChIKeyGSDONAWUBBFMPZ-JTQLQIEISA-N
MW282.34 g/mol
LogP1.74
Rot. Bonds4

About (2S)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-methylpentanoic acid

(2S)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-methylpentanoic acid (PubChem CID 15895597) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is (2S)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-methylpentanoic acid
PubChem CID15895597
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name(2S)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-methylpentanoic acid
SMILESCC(C)C[C@@H](C(=O)O)N1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C14H22N2O4/c1-9(2)8-10(11(17)18)16-12(19)14(15-13(16)20)6-4-3-5-7-14/h9-10H,3-8H2,1-2H3,(H,15,20)(H,17,18)/t10-/m0/s1
InChIKeyGSDONAWUBBFMPZ-JTQLQIEISA-N
XLogP1.74
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.74
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-{2,4-Dioxo-1,3-diazaspiro[4.5]decan-3-yl}propanoic acid
CID 7131517
2-(2,4-Dioxo-1,3-diazaspiro(4.5)decan-3-yl)acetic acid
CID 3162834
(2S)-6-amino-2-[[(2R)-3-cyclohexyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamoylamino]hexanoic acid
CID 25159800
2-(1-Methyl-2,4-dioxo-1,3-diazaspiro(4.5)decan-3-yl)acetic acid
CID 4961981
2-{6-Methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl}acetic acid
CID 4984973
2-{8-Methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl}acetic acid
CID 4868347
2-(8-Ethyl-2,4-dioxo-1,3-diazaspiro(4.5)decan-3-yl)acetic acid
CID 4868349
2-{7,7-Dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl}acetic acid
CID 64468863
2,4-Dioxo-1,3-diazaspiro(4.5)decane-3-acetic acid ethyl ester
CID 2622537
(2S)-3-cyclopropyl-2-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]propanoic acid
CID 59925949
2-(9-Methyl-2,4-dioxo-6-propan-2-yl-1,3-diazaspiro[4.5]decan-3-yl)acetic acid
CID 289059
(2S)-6-amino-2-[[(2R)-3-cyclohexyl-1-(2-methylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamoylamino]hexanoic acid;2,2,2-trifluoroacetic acid
CID 25161106

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-methylpentanoic acid?
The IUPAC name of (2S)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-methylpentanoic acid (CID 15895597) is (2S)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-methylpentanoic acid.
What is the SMILES notation for (2S)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-methylpentanoic acid?
The canonical SMILES for (2S)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-methylpentanoic acid is CC(C)C[C@@H](C(=O)O)N1C(=O)NC2(CCCCC2)C1=O.
What is the InChIKey of (2S)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-methylpentanoic acid?
The InChIKey is GSDONAWUBBFMPZ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H22N2O4/c1-9(2)8-10(11(17)18)16-12(19)14(15-13(16)20)6-4-3-5-7-14/h9-10H,3-8H2,1-2H3,(H,15,20)(H,17,18)/t10-/m0/s1.
What are the key properties of (2S)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-methylpentanoic acid?
(2S)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-methylpentanoic acid has a molecular weight of 282.34 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-methylpentanoic acid is sourced from PubChem (CID 15895597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).