[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetate

About [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetate

[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetate (PubChem CID 8587944) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetate.

Molecular Properties

Compound Name	[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetate
PubChem CID	8587944
Molecular Formula	C20H23N3O5
Molecular Weight	385.42 g/mol
Exact Mass	385.16
IUPAC Name	[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetate
SMILES	C[C@@H](OC(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)C(=O)NC1CC1
InChI	InChI=1S/C20H23N3O5/c1-12(17(25)21-14-8-9-14)28-16(24)11-23-18(26)20(22-19(23)27)10-4-6-13-5-2-3-7-15(13)20/h2-3,5,7,12,14H,4,6,8-11H2,1H3,(H,21,25)(H,22,27)/t12-,20-/m1/s1
InChIKey	JJSYHILGKPOSIF-MPBGBICISA-N
XLogP	0.98
TPSA	104.81 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	5
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.42
LogP ≤ 5	0.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetate?

The IUPAC name of [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetate (CID 8587944) is [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetate.

What is the SMILES notation for [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetate?

The canonical SMILES for [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetate is C[C@@H](OC(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)C(=O)NC1CC1.

What is the InChIKey of [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetate?

The InChIKey is JJSYHILGKPOSIF-MPBGBICISA-N. The full InChI is InChI=1S/C20H23N3O5/c1-12(17(25)21-14-8-9-14)28-16(24)11-23-18(26)20(22-19(23)27)10-4-6-13-5-2-3-7-15(13)20/h2-3,5,7,12,14H,4,6,8-11H2,1H3,(H,21,25)(H,22,27)/t12-,20-/m1/s1.

What are the key properties of [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetate?

[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetate has a molecular weight of 385.42 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetate is sourced from PubChem (CID 8587944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).