5-oxo-N-[2-oxo-2-[2-[[2-[(5-oxopyrrolidine-2-carbonyl)amino]acetyl]amino]ethylamino]ethyl]pyrrolidine-2-carboxamide

C16H24N6O6 — CID 19751769

IUPAC5-oxo-N-[2-oxo-2-[2-[[2-[(5-oxopyrrolidine-2-carbonyl)amino]acetyl]amino]ethylamino]ethyl]pyrrolidine-2-carboxamide
SMILESO=C(CNC(=O)C1CCC(=O)N1)NCCNC(=O)CNC(=O)C1CCC(=O)N1
InChIInChI=1S/C16H24N6O6/c23-11-3-1-9(21-11)15(27)19-7-13(25)17-5-6-18-14(26)8-20-16(28)10-2-4-12(24)22-10/h9-10H,1-8H2,(H,17,25)(H,18,26)(H,19,27)(H,20,28)(H,21,23)(H,22,24)
InChIKeyDFOAAPJCWQABFC-UHFFFAOYSA-N
MW396.40 g/mol
LogP-3.99
Rot. Bonds9

About 5-oxo-N-[2-oxo-2-[2-[[2-[(5-oxopyrrolidine-2-carbonyl)amino]acetyl]amino]ethylamino]ethyl]pyrrolidine-2-carboxamide

5-oxo-N-[2-oxo-2-[2-[[2-[(5-oxopyrrolidine-2-carbonyl)amino]acetyl]amino]ethylamino]ethyl]pyrrolidine-2-carboxamide (PubChem CID 19751769) has the molecular formula C16H24N6O6 and a molecular weight of 396.40 g/mol. Its IUPAC name is 5-oxo-N-[2-oxo-2-[2-[[2-[(5-oxopyrrolidine-2-carbonyl)amino]acetyl]amino]ethylamino]ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name5-oxo-N-[2-oxo-2-[2-[[2-[(5-oxopyrrolidine-2-carbonyl)amino]acetyl]amino]ethylamino]ethyl]pyrrolidine-2-carboxamide
PubChem CID19751769
Molecular FormulaC16H24N6O6
Molecular Weight396.40 g/mol
Exact Mass396.18
IUPAC Name5-oxo-N-[2-oxo-2-[2-[[2-[(5-oxopyrrolidine-2-carbonyl)amino]acetyl]amino]ethylamino]ethyl]pyrrolidine-2-carboxamide
SMILESO=C(CNC(=O)C1CCC(=O)N1)NCCNC(=O)CNC(=O)C1CCC(=O)N1
InChIInChI=1S/C16H24N6O6/c23-11-3-1-9(21-11)15(27)19-7-13(25)17-5-6-18-14(26)8-20-16(28)10-2-4-12(24)22-10/h9-10H,1-8H2,(H,17,25)(H,18,26)(H,19,27)(H,20,28)(H,21,23)(H,22,24)
InChIKeyDFOAAPJCWQABFC-UHFFFAOYSA-N
XLogP-3.99
TPSA174.60 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.40
LogP ≤ 5-3.99
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-oxo-N-[2-[2-[(5-oxopyrrolidine-2-carbonyl)amino]ethylamino]ethyl]pyrrolidine-2-carboxamide
CID 155810723
2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]acetate
CID 11902929
(2S)-N-[2-(methylamino)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 94537622
(2S)-N-(3-hydroxypropyl)-5-oxopyrrolidine-2-carboxamide
CID 103799933
5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-2-carboxamide
CID 112761773
(2R)-N-(4-hydroxybutyl)-5-oxopyrrolidine-2-carboxamide
CID 107168306
N-(2-methoxyethyl)-5-oxopyrrolidine-2-carboxamide
CID 110689650
(2S)-N-(3-aminopropyl)-5-oxopyrrolidine-2-carboxamide
CID 103805016
N-(cyanomethyl)-5-oxopyrrolidine-2-carboxamide
CID 515622
N-(5-hydroxypentyl)-5-oxopyrrolidine-2-carboxamide
CID 107319131
N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide
CID 110689693
N-(2,2-dimethoxyethyl)-5-oxopyrrolidine-2-carboxamide
CID 110462101

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-[2-oxo-2-[2-[[2-[(5-oxopyrrolidine-2-carbonyl)amino]acetyl]amino]ethylamino]ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 5-oxo-N-[2-oxo-2-[2-[[2-[(5-oxopyrrolidine-2-carbonyl)amino]acetyl]amino]ethylamino]ethyl]pyrrolidine-2-carboxamide (CID 19751769) is 5-oxo-N-[2-oxo-2-[2-[[2-[(5-oxopyrrolidine-2-carbonyl)amino]acetyl]amino]ethylamino]ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 5-oxo-N-[2-oxo-2-[2-[[2-[(5-oxopyrrolidine-2-carbonyl)amino]acetyl]amino]ethylamino]ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 5-oxo-N-[2-oxo-2-[2-[[2-[(5-oxopyrrolidine-2-carbonyl)amino]acetyl]amino]ethylamino]ethyl]pyrrolidine-2-carboxamide is O=C(CNC(=O)C1CCC(=O)N1)NCCNC(=O)CNC(=O)C1CCC(=O)N1.
What is the InChIKey of 5-oxo-N-[2-oxo-2-[2-[[2-[(5-oxopyrrolidine-2-carbonyl)amino]acetyl]amino]ethylamino]ethyl]pyrrolidine-2-carboxamide?
The InChIKey is DFOAAPJCWQABFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O6/c23-11-3-1-9(21-11)15(27)19-7-13(25)17-5-6-18-14(26)8-20-16(28)10-2-4-12(24)22-10/h9-10H,1-8H2,(H,17,25)(H,18,26)(H,19,27)(H,20,28)(H,21,23)(H,22,24).
What are the key properties of 5-oxo-N-[2-oxo-2-[2-[[2-[(5-oxopyrrolidine-2-carbonyl)amino]acetyl]amino]ethylamino]ethyl]pyrrolidine-2-carboxamide?
5-oxo-N-[2-oxo-2-[2-[[2-[(5-oxopyrrolidine-2-carbonyl)amino]acetyl]amino]ethylamino]ethyl]pyrrolidine-2-carboxamide has a molecular weight of 396.40 g/mol, XLogP of -3.99, 9 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-[2-oxo-2-[2-[[2-[(5-oxopyrrolidine-2-carbonyl)amino]acetyl]amino]ethylamino]ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 19751769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).