2-[1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-8-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetic acid

C25H35N3O5 — CID 10766274

IUPAC2-[1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-8-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetic acid
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)C(=O)N(CC(=O)O)CN2CCC1Cc2ccccc2C1
InChIInChI=1S/C25H35N3O5/c1-24(2,3)33-23(32)26-12-9-25(10-13-26)22(31)27(16-21(29)30)17-28(25)11-8-18-14-19-6-4-5-7-20(19)15-18/h4-7,18H,8-17H2,1-3H3,(H,29,30)
InChIKeyONUSNXPBOJEQNX-UHFFFAOYSA-N
MW457.57 g/mol
LogP2.75
Rot. Bonds5

About 2-[1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-8-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetic acid

2-[1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-8-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetic acid (PubChem CID 10766274) has the molecular formula C25H35N3O5 and a molecular weight of 457.57 g/mol. Its IUPAC name is 2-[1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-8-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-8-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetic acid
PubChem CID10766274
Molecular FormulaC25H35N3O5
Molecular Weight457.57 g/mol
Exact Mass457.26
IUPAC Name2-[1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-8-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetic acid
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)C(=O)N(CC(=O)O)CN2CCC1Cc2ccccc2C1
InChIInChI=1S/C25H35N3O5/c1-24(2,3)33-23(32)26-12-9-25(10-13-26)22(31)27(16-21(29)30)17-28(25)11-8-18-14-19-6-4-5-7-20(19)15-18/h4-7,18H,8-17H2,1-3H3,(H,29,30)
InChIKeyONUSNXPBOJEQNX-UHFFFAOYSA-N
XLogP2.75
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.57
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-8-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxo-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetic acid
CID 10549891
tert-butyl 1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxylate
CID 10810838
2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]acetic acid
CID 22238030
tert-butyl 3-[[4-(methanesulfonamido)phenyl]methyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxylate
CID 58046704
1-O-tert-butyl 4-O-methyl 4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidine-1,4-dicarboxylate
CID 158999954
2-[(5S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetic acid
CID 24805629
tert-butyl 1-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate
CID 151169776
tert-butyl 4-oxo-2-phenyl-8-azaspiro[4.5]decane-8-carboxylate
CID 59312198
2-[(3R)-3-methyl-1-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-2-oxopiperidin-3-yl]acetic acid
CID 54269284
tert-butyl spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,4'-piperidine]-1'-carboxylate
CID 146553615
tert-butyl 4-(2-phenylethyl)piperidine-1-carboxylate
CID 58041388
tert-butyl 3-oxo-2-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 59688382

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-8-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetic acid?
The IUPAC name of 2-[1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-8-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetic acid (CID 10766274) is 2-[1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-8-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-8-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-8-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetic acid is CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)N(CC(=O)O)CN2CCC1Cc2ccccc2C1.
What is the InChIKey of 2-[1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-8-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetic acid?
The InChIKey is ONUSNXPBOJEQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O5/c1-24(2,3)33-23(32)26-12-9-25(10-13-26)22(31)27(16-21(29)30)17-28(25)11-8-18-14-19-6-4-5-7-20(19)15-18/h4-7,18H,8-17H2,1-3H3,(H,29,30).
What are the key properties of 2-[1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-8-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetic acid?
2-[1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-8-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetic acid has a molecular weight of 457.57 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-8-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetic acid is sourced from PubChem (CID 10766274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).