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

C20H33N3O5 — CID 10668409

IUPAC2-[1-cyclohexyl-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)CN2C1CCCCC1
InChIInChI=1S/C20H33N3O5/c1-19(2,3)28-18(27)21-11-9-20(10-12-21)17(26)22(13-16(24)25)14-23(20)15-7-5-4-6-8-15/h15H,4-14H2,1-3H3,(H,24,25)
InChIKeyRCLXJGYSNJDPMA-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.28
Rot. Bonds3

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

2-[1-cyclohexyl-8-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetic acid (PubChem CID 10668409) has the molecular formula C20H33N3O5 and a molecular weight of 395.50 g/mol. Its IUPAC name is 2-[1-cyclohexyl-8-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-cyclohexyl-8-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetic acid
PubChem CID10668409
Molecular FormulaC20H33N3O5
Molecular Weight395.50 g/mol
Exact Mass395.24
IUPAC Name2-[1-cyclohexyl-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)CN2C1CCCCC1
InChIInChI=1S/C20H33N3O5/c1-19(2,3)28-18(27)21-11-9-20(10-12-21)17(26)22(13-16(24)25)14-23(20)15-7-5-4-6-8-15/h15H,4-14H2,1-3H3,(H,24,25)
InChIKeyRCLXJGYSNJDPMA-UHFFFAOYSA-N
XLogP2.28
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-cyclohexyl-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

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclohexyl-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-cyclohexyl-8-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetic acid (CID 10668409) is 2-[1-cyclohexyl-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-cyclohexyl-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-cyclohexyl-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)CN2C1CCCCC1.
What is the InChIKey of 2-[1-cyclohexyl-8-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetic acid?
The InChIKey is RCLXJGYSNJDPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O5/c1-19(2,3)28-18(27)21-11-9-20(10-12-21)17(26)22(13-16(24)25)14-23(20)15-7-5-4-6-8-15/h15H,4-14H2,1-3H3,(H,24,25).
What are the key properties of 2-[1-cyclohexyl-8-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetic acid?
2-[1-cyclohexyl-8-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetic acid has a molecular weight of 395.50 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclohexyl-8-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetic acid is sourced from PubChem (CID 10668409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).