tert-butyl (3R)-3-[(2S)-3-[3-(5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)phenyl]-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]pyrrolidine-1-carboxylate

About tert-butyl (3R)-3-[(2S)-3-[3-(5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)phenyl]-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]pyrrolidine-1-carboxylate

tert-butyl (3R)-3-[(2S)-3-[3-(5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)phenyl]-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]pyrrolidine-1-carboxylate (PubChem CID 178012676) has the molecular formula C27H37N3O6 and a molecular weight of 499.61 g/mol. Its IUPAC name is tert-butyl (3R)-3-[(2S)-3-[3-(5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)phenyl]-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name	tert-butyl (3R)-3-[(2S)-3-[3-(5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)phenyl]-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]pyrrolidine-1-carboxylate
PubChem CID	178012676
Molecular Formula	C27H37N3O6
Molecular Weight	499.61 g/mol
Exact Mass	499.27
IUPAC Name	tert-butyl (3R)-3-[(2S)-3-[3-(5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)phenyl]-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]pyrrolidine-1-carboxylate
SMILES	CC(C)(C)OC(=O)[C@@H](Cc1cccc(N2C(=O)NC3(CC3)C2=O)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1
InChI	InChI=1S/C27H37N3O6/c1-25(2,3)35-21(31)20(18-10-13-29(16-18)24(34)36-26(4,5)6)15-17-8-7-9-19(14-17)30-22(32)27(11-12-27)28-23(30)33/h7-9,14,18,20H,10-13,15-16H2,1-6H3,(H,28,33)/t18-,20-/m0/s1
InChIKey	NYDMXTNMDBULNK-ICSRJNTNSA-N
XLogP	4.03
TPSA	105.25 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	5
Heavy Atoms	36
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.61
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[(2S)-3-[3-(5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)phenyl]-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]pyrrolidine-1-carboxylate?

The IUPAC name of tert-butyl (3R)-3-[(2S)-3-[3-(5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)phenyl]-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]pyrrolidine-1-carboxylate (CID 178012676) is tert-butyl (3R)-3-[(2S)-3-[3-(5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)phenyl]-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]pyrrolidine-1-carboxylate.

What is the SMILES notation for tert-butyl (3R)-3-[(2S)-3-[3-(5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)phenyl]-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]pyrrolidine-1-carboxylate?

The canonical SMILES for tert-butyl (3R)-3-[(2S)-3-[3-(5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)phenyl]-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)[C@@H](Cc1cccc(N2C(=O)NC3(CC3)C2=O)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1.

What is the InChIKey of tert-butyl (3R)-3-[(2S)-3-[3-(5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)phenyl]-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]pyrrolidine-1-carboxylate?

The InChIKey is NYDMXTNMDBULNK-ICSRJNTNSA-N. The full InChI is InChI=1S/C27H37N3O6/c1-25(2,3)35-21(31)20(18-10-13-29(16-18)24(34)36-26(4,5)6)15-17-8-7-9-19(14-17)30-22(32)27(11-12-27)28-23(30)33/h7-9,14,18,20H,10-13,15-16H2,1-6H3,(H,28,33)/t18-,20-/m0/s1.

What are the key properties of tert-butyl (3R)-3-[(2S)-3-[3-(5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)phenyl]-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]pyrrolidine-1-carboxylate?

tert-butyl (3R)-3-[(2S)-3-[3-(5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)phenyl]-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]pyrrolidine-1-carboxylate has a molecular weight of 499.61 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (3R)-3-[(2S)-3-[3-(5,7-dioxo-4,6-diazaspiro[2.4]heptan-6-yl)phenyl]-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 178012676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).