methyl 3-(1H-indol-3-yl)-2-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]propanoate

C23H28N4O5 — CID 46483614

IUPACmethyl 3-(1H-indol-3-yl)-2-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]propanoate
SMILESCOC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O
InChIInChI=1S/C23H28N4O5/c1-26-22(31)27(21(30)23(26)10-6-3-7-11-23)14-19(28)25-18(20(29)32-2)12-15-13-24-17-9-5-4-8-16(15)17/h4-5,8-9,13,18,24H,3,6-7,10-12,14H2,1-2H3,(H,25,28)
InChIKeyKTWVHBJWPXGNEU-UHFFFAOYSA-N
MW440.50 g/mol
LogP1.97
Rot. Bonds6

About methyl 3-(1H-indol-3-yl)-2-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]propanoate

methyl 3-(1H-indol-3-yl)-2-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]propanoate (PubChem CID 46483614) has the molecular formula C23H28N4O5 and a molecular weight of 440.50 g/mol. Its IUPAC name is methyl 3-(1H-indol-3-yl)-2-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-(1H-indol-3-yl)-2-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]propanoate
PubChem CID46483614
Molecular FormulaC23H28N4O5
Molecular Weight440.50 g/mol
Exact Mass440.21
IUPAC Namemethyl 3-(1H-indol-3-yl)-2-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]propanoate
SMILESCOC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O
InChIInChI=1S/C23H28N4O5/c1-26-22(31)27(21(30)23(26)10-6-3-7-11-23)14-19(28)25-18(20(29)32-2)12-15-13-24-17-9-5-4-8-16(15)17/h4-5,8-9,13,18,24H,3,6-7,10-12,14H2,1-2H3,(H,25,28)
InChIKeyKTWVHBJWPXGNEU-UHFFFAOYSA-N
XLogP1.97
TPSA111.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 3-(1H-indol-3-yl)-2-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]propanoate with MolForge

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Related Compounds

methyl (2R)-2-[[2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]acetyl]amino]-3-(1H-indol-3-yl)propanoate
CID 6597897
methyl 2-[[2-(4-cyclohexyloxypiperidin-1-yl)acetyl]amino]-3-(1H-indol-3-yl)propanoate
CID 86873968
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CID 40819780
methyl (2S)-3-(1H-indol-3-yl)-2-(methoxycarbonylamino)propanoate
CID 7018187
methyl (2R)-2-[[2-(cyclohexanecarbonylamino)acetyl]amino]-3-(1H-indol-3-yl)propanoate
CID 18105767
methyl 3-(1H-indol-3-yl)-2-[(2-phenylsulfanylacetyl)amino]propanoate
CID 78512807
methyl (2R)-3-(1H-indol-3-yl)-2-[(2-phenylsulfanylacetyl)amino]propanoate
CID 7613380
[2-[[(2R)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8914802
methyl (2R)-3-(1H-indol-3-yl)-2-[[2-(2-methyl-4-oxoquinazolin-3-yl)acetyl]amino]propanoate
CID 55938364
methyl 2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-3-(1H-indol-3-yl)propanoate
CID 78794132
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Frequently Asked Questions

What is the IUPAC name of methyl 3-(1H-indol-3-yl)-2-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]propanoate?
The IUPAC name of methyl 3-(1H-indol-3-yl)-2-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]propanoate (CID 46483614) is methyl 3-(1H-indol-3-yl)-2-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]propanoate.
What is the SMILES notation for methyl 3-(1H-indol-3-yl)-2-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]propanoate?
The canonical SMILES for methyl 3-(1H-indol-3-yl)-2-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]propanoate is COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O.
What is the InChIKey of methyl 3-(1H-indol-3-yl)-2-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]propanoate?
The InChIKey is KTWVHBJWPXGNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O5/c1-26-22(31)27(21(30)23(26)10-6-3-7-11-23)14-19(28)25-18(20(29)32-2)12-15-13-24-17-9-5-4-8-16(15)17/h4-5,8-9,13,18,24H,3,6-7,10-12,14H2,1-2H3,(H,25,28).
What are the key properties of methyl 3-(1H-indol-3-yl)-2-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]propanoate?
methyl 3-(1H-indol-3-yl)-2-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]propanoate has a molecular weight of 440.50 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1H-indol-3-yl)-2-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]propanoate is sourced from PubChem (CID 46483614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).