butyl 4-hydroxy-2-[(2-oxo-2-propoxyethyl)carbamoyl]pyrrolidine-1-carboxylate

C15H26N2O6 — CID 91729838

IUPACbutyl 4-hydroxy-2-[(2-oxo-2-propoxyethyl)carbamoyl]pyrrolidine-1-carboxylate
SMILESCCCCOC(=O)N1CC(O)CC1C(=O)NCC(=O)OCCC
InChIInChI=1S/C15H26N2O6/c1-3-5-7-23-15(21)17-10-11(18)8-12(17)14(20)16-9-13(19)22-6-4-2/h11-12,18H,3-10H2,1-2H3,(H,16,20)
InChIKeySHAZPGSSJWGUEF-UHFFFAOYSA-N
MW330.38 g/mol
LogP0.43
Rot. Bonds8

About butyl 4-hydroxy-2-[(2-oxo-2-propoxyethyl)carbamoyl]pyrrolidine-1-carboxylate

butyl 4-hydroxy-2-[(2-oxo-2-propoxyethyl)carbamoyl]pyrrolidine-1-carboxylate (PubChem CID 91729838) has the molecular formula C15H26N2O6 and a molecular weight of 330.38 g/mol. Its IUPAC name is butyl 4-hydroxy-2-[(2-oxo-2-propoxyethyl)carbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebutyl 4-hydroxy-2-[(2-oxo-2-propoxyethyl)carbamoyl]pyrrolidine-1-carboxylate
PubChem CID91729838
Molecular FormulaC15H26N2O6
Molecular Weight330.38 g/mol
Exact Mass330.18
IUPAC Namebutyl 4-hydroxy-2-[(2-oxo-2-propoxyethyl)carbamoyl]pyrrolidine-1-carboxylate
SMILESCCCCOC(=O)N1CC(O)CC1C(=O)NCC(=O)OCCC
InChIInChI=1S/C15H26N2O6/c1-3-5-7-23-15(21)17-10-11(18)8-12(17)14(20)16-9-13(19)22-6-4-2/h11-12,18H,3-10H2,1-2H3,(H,16,20)
InChIKeySHAZPGSSJWGUEF-UHFFFAOYSA-N
XLogP0.43
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl 4-hydroxy-2-[(2-oxo-2-propoxyethyl)carbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of butyl 4-hydroxy-2-[(2-oxo-2-propoxyethyl)carbamoyl]pyrrolidine-1-carboxylate (CID 91729838) is butyl 4-hydroxy-2-[(2-oxo-2-propoxyethyl)carbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for butyl 4-hydroxy-2-[(2-oxo-2-propoxyethyl)carbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for butyl 4-hydroxy-2-[(2-oxo-2-propoxyethyl)carbamoyl]pyrrolidine-1-carboxylate is CCCCOC(=O)N1CC(O)CC1C(=O)NCC(=O)OCCC.
What is the InChIKey of butyl 4-hydroxy-2-[(2-oxo-2-propoxyethyl)carbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is SHAZPGSSJWGUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O6/c1-3-5-7-23-15(21)17-10-11(18)8-12(17)14(20)16-9-13(19)22-6-4-2/h11-12,18H,3-10H2,1-2H3,(H,16,20).
What are the key properties of butyl 4-hydroxy-2-[(2-oxo-2-propoxyethyl)carbamoyl]pyrrolidine-1-carboxylate?
butyl 4-hydroxy-2-[(2-oxo-2-propoxyethyl)carbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 330.38 g/mol, XLogP of 0.43, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-hydroxy-2-[(2-oxo-2-propoxyethyl)carbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 91729838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).