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

C14H23N5O4 — CID 155810723

IUPAC5-oxo-N-[2-[2-[(5-oxopyrrolidine-2-carbonyl)amino]ethylamino]ethyl]pyrrolidine-2-carboxamide
SMILESO=C1CCC(C(=O)NCCNCCNC(=O)C2CCC(=O)N2)N1
InChIInChI=1S/C14H23N5O4/c20-11-3-1-9(18-11)13(22)16-7-5-15-6-8-17-14(23)10-2-4-12(21)19-10/h9-10,15H,1-8H2,(H,16,22)(H,17,23)(H,18,20)(H,19,21)
InChIKeyJTNACGBRVNBZTP-UHFFFAOYSA-N
MW325.37 g/mol
LogP-2.63
Rot. Bonds8

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

5-oxo-N-[2-[2-[(5-oxopyrrolidine-2-carbonyl)amino]ethylamino]ethyl]pyrrolidine-2-carboxamide (PubChem CID 155810723) has the molecular formula C14H23N5O4 and a molecular weight of 325.37 g/mol. Its IUPAC name is 5-oxo-N-[2-[2-[(5-oxopyrrolidine-2-carbonyl)amino]ethylamino]ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name5-oxo-N-[2-[2-[(5-oxopyrrolidine-2-carbonyl)amino]ethylamino]ethyl]pyrrolidine-2-carboxamide
PubChem CID155810723
Molecular FormulaC14H23N5O4
Molecular Weight325.37 g/mol
Exact Mass325.18
IUPAC Name5-oxo-N-[2-[2-[(5-oxopyrrolidine-2-carbonyl)amino]ethylamino]ethyl]pyrrolidine-2-carboxamide
SMILESO=C1CCC(C(=O)NCCNCCNC(=O)C2CCC(=O)N2)N1
InChIInChI=1S/C14H23N5O4/c20-11-3-1-9(18-11)13(22)16-7-5-15-6-8-17-14(23)10-2-4-12(21)19-10/h9-10,15H,1-8H2,(H,16,22)(H,17,23)(H,18,20)(H,19,21)
InChIKeyJTNACGBRVNBZTP-UHFFFAOYSA-N
XLogP-2.63
TPSA128.43 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 5-2.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-[2-(methylamino)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 94537622
N-[2-(2-hydroxypropylamino)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 104593841
(2S)-N-(3-hydroxypropyl)-5-oxopyrrolidine-2-carboxamide
CID 103799933
5-oxo-N-[2-oxo-2-[2-[[2-[(5-oxopyrrolidine-2-carbonyl)amino]acetyl]amino]ethylamino]ethyl]pyrrolidine-2-carboxamide
CID 19751769
(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-(5-hydroxypentyl)-5-oxopyrrolidine-2-carboxamide
CID 107319131
N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide
CID 110689693
N-[2-(cycloheptylamino)ethyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride
CID 119619815
(2R)-N-(5-aminopentyl)-5-oxopyrrolidine-2-carboxamide
CID 170277204
2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]acetate
CID 11902929

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-[2-[2-[(5-oxopyrrolidine-2-carbonyl)amino]ethylamino]ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 5-oxo-N-[2-[2-[(5-oxopyrrolidine-2-carbonyl)amino]ethylamino]ethyl]pyrrolidine-2-carboxamide (CID 155810723) is 5-oxo-N-[2-[2-[(5-oxopyrrolidine-2-carbonyl)amino]ethylamino]ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 5-oxo-N-[2-[2-[(5-oxopyrrolidine-2-carbonyl)amino]ethylamino]ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 5-oxo-N-[2-[2-[(5-oxopyrrolidine-2-carbonyl)amino]ethylamino]ethyl]pyrrolidine-2-carboxamide is O=C1CCC(C(=O)NCCNCCNC(=O)C2CCC(=O)N2)N1.
What is the InChIKey of 5-oxo-N-[2-[2-[(5-oxopyrrolidine-2-carbonyl)amino]ethylamino]ethyl]pyrrolidine-2-carboxamide?
The InChIKey is JTNACGBRVNBZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O4/c20-11-3-1-9(18-11)13(22)16-7-5-15-6-8-17-14(23)10-2-4-12(21)19-10/h9-10,15H,1-8H2,(H,16,22)(H,17,23)(H,18,20)(H,19,21).
What are the key properties of 5-oxo-N-[2-[2-[(5-oxopyrrolidine-2-carbonyl)amino]ethylamino]ethyl]pyrrolidine-2-carboxamide?
5-oxo-N-[2-[2-[(5-oxopyrrolidine-2-carbonyl)amino]ethylamino]ethyl]pyrrolidine-2-carboxamide has a molecular weight of 325.37 g/mol, XLogP of -2.63, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-[2-[2-[(5-oxopyrrolidine-2-carbonyl)amino]ethylamino]ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 155810723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).