(2S)-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethoxy]pyrrolidine-2-carboxamide

C11H17N3O4 — CID 154866002

IUPAC(2S)-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethoxy]pyrrolidine-2-carboxamide
SMILESO=C1CC[C@@H](C(=O)NOCCN2CCCC2=O)N1
InChIInChI=1S/C11H17N3O4/c15-9-4-3-8(12-9)11(17)13-18-7-6-14-5-1-2-10(14)16/h8H,1-7H2,(H,12,15)(H,13,17)/t8-/m0/s1
InChIKeyUCRACPFUCOQFQP-QMMMGPOBSA-N
MW255.27 g/mol
LogP-1.06
Rot. Bonds5

About (2S)-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethoxy]pyrrolidine-2-carboxamide

(2S)-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethoxy]pyrrolidine-2-carboxamide (PubChem CID 154866002) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is (2S)-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethoxy]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethoxy]pyrrolidine-2-carboxamide
PubChem CID154866002
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name(2S)-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethoxy]pyrrolidine-2-carboxamide
SMILESO=C1CC[C@@H](C(=O)NOCCN2CCCC2=O)N1
InChIInChI=1S/C11H17N3O4/c15-9-4-3-8(12-9)11(17)13-18-7-6-14-5-1-2-10(14)16/h8H,1-7H2,(H,12,15)(H,13,17)/t8-/m0/s1
InChIKeyUCRACPFUCOQFQP-QMMMGPOBSA-N
XLogP-1.06
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethoxy]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethoxy]pyrrolidine-2-carboxamide (CID 154866002) is (2S)-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethoxy]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethoxy]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethoxy]pyrrolidine-2-carboxamide is O=C1CC[C@@H](C(=O)NOCCN2CCCC2=O)N1.
What is the InChIKey of (2S)-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethoxy]pyrrolidine-2-carboxamide?
The InChIKey is UCRACPFUCOQFQP-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H17N3O4/c15-9-4-3-8(12-9)11(17)13-18-7-6-14-5-1-2-10(14)16/h8H,1-7H2,(H,12,15)(H,13,17)/t8-/m0/s1.
What are the key properties of (2S)-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethoxy]pyrrolidine-2-carboxamide?
(2S)-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethoxy]pyrrolidine-2-carboxamide has a molecular weight of 255.27 g/mol, XLogP of -1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethoxy]pyrrolidine-2-carboxamide is sourced from PubChem (CID 154866002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).