[2-(tert-butylcarbamoylamino)-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate

C19H25N3O5 — CID 2999192

IUPAC[2-(tert-butylcarbamoylamino)-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate
SMILESCC(C)(C)NC(=O)NC(=O)COC(=O)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C19H25N3O5/c1-19(2,3)21-18(26)20-15(23)12-27-17(25)14-9-16(24)22(11-14)10-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H2,20,21,23,26)
InChIKeyRACDZEOBXIZNCC-UHFFFAOYSA-N
MW375.43 g/mol
LogP1.20
Rot. Bonds5

About [2-(tert-butylcarbamoylamino)-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate

[2-(tert-butylcarbamoylamino)-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate (PubChem CID 2999192) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is [2-(tert-butylcarbamoylamino)-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[2-(tert-butylcarbamoylamino)-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate
PubChem CID2999192
Molecular FormulaC19H25N3O5
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC Name[2-(tert-butylcarbamoylamino)-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate
SMILESCC(C)(C)NC(=O)NC(=O)COC(=O)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C19H25N3O5/c1-19(2,3)21-18(26)20-15(23)12-27-17(25)14-9-16(24)22(11-14)10-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H2,20,21,23,26)
InChIKeyRACDZEOBXIZNCC-UHFFFAOYSA-N
XLogP1.20
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate (CID 2999192) is [2-(tert-butylcarbamoylamino)-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for [2-(tert-butylcarbamoylamino)-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for [2-(tert-butylcarbamoylamino)-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate is CC(C)(C)NC(=O)NC(=O)COC(=O)C1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate?
The InChIKey is RACDZEOBXIZNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5/c1-19(2,3)21-18(26)20-15(23)12-27-17(25)14-9-16(24)22(11-14)10-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H2,20,21,23,26).
What are the key properties of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate?
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate has a molecular weight of 375.43 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylcarbamoylamino)-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 2999192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).