[(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate

C20H26N2O5 — CID 8732386

IUPAC[(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
SMILESCC(C)N(C(=O)[C@@H](C)OC(=O)c1cccc(N2C(=O)CCC2=O)c1)C(C)C
InChIInChI=1S/C20H26N2O5/c1-12(2)21(13(3)4)19(25)14(5)27-20(26)15-7-6-8-16(11-15)22-17(23)9-10-18(22)24/h6-8,11-14H,9-10H2,1-5H3/t14-/m1/s1
InChIKeyBCLFUVYRNDQTTP-CQSZACIVSA-N
MW374.44 g/mol
LogP2.53
Rot. Bonds6

About [(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate

[(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate (PubChem CID 8732386) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is [(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate.

Molecular Properties

Compound Name[(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
PubChem CID8732386
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Name[(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
SMILESCC(C)N(C(=O)[C@@H](C)OC(=O)c1cccc(N2C(=O)CCC2=O)c1)C(C)C
InChIInChI=1S/C20H26N2O5/c1-12(2)21(13(3)4)19(25)14(5)27-20(26)15-7-6-8-16(11-15)22-17(23)9-10-18(22)24/h6-8,11-14H,9-10H2,1-5H3/t14-/m1/s1
InChIKeyBCLFUVYRNDQTTP-CQSZACIVSA-N
XLogP2.53
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(1S)-1-cyanoethyl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204595
[1-(cyclohexylamino)-1-oxopropan-2-yl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 55307143
[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 8732340
[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 8732402
1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 3-(2,5-dioxopyrrol-1-yl)benzoate
CID 90373482
[(2R)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 8732257
[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 8849577
[1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 55420479
1-(3-acetylphenyl)pyrrolidine-2,5-dione;ethane
CID 145439444
[2-(methylamino)-2-oxoethyl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204522
[(2S)-1-amino-1-oxopropan-2-yl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204222
[(2S)-1-oxo-1-phenylpropan-2-yl] 3-(5,6-dichloro-1,3-dioxoisoindol-2-yl)benzoate
CID 1340634

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate?
The IUPAC name of [(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate (CID 8732386) is [(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate.
What is the SMILES notation for [(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate?
The canonical SMILES for [(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate is CC(C)N(C(=O)[C@@H](C)OC(=O)c1cccc(N2C(=O)CCC2=O)c1)C(C)C.
What is the InChIKey of [(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate?
The InChIKey is BCLFUVYRNDQTTP-CQSZACIVSA-N. The full InChI is InChI=1S/C20H26N2O5/c1-12(2)21(13(3)4)19(25)14(5)27-20(26)15-7-6-8-16(11-15)22-17(23)9-10-18(22)24/h6-8,11-14H,9-10H2,1-5H3/t14-/m1/s1.
What are the key properties of [(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate?
[(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate has a molecular weight of 374.44 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate is sourced from PubChem (CID 8732386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).