2,4-diamino-1,5-bis(5-oxopyrrolidin-2-yl)pentane-1,5-dione

C13H20N4O4 — CID 57285892

IUPAC2,4-diamino-1,5-bis(5-oxopyrrolidin-2-yl)pentane-1,5-dione
SMILESNC(CC(N)C(=O)C1CCC(=O)N1)C(=O)C1CCC(=O)N1
InChIInChI=1S/C13H20N4O4/c14-6(12(20)8-1-3-10(18)16-8)5-7(15)13(21)9-2-4-11(19)17-9/h6-9H,1-5,14-15H2,(H,16,18)(H,17,19)
InChIKeyVDILJQNTPNMNOJ-UHFFFAOYSA-N
MW296.33 g/mol
LogP-2.27
Rot. Bonds6

About 2,4-diamino-1,5-bis(5-oxopyrrolidin-2-yl)pentane-1,5-dione

2,4-diamino-1,5-bis(5-oxopyrrolidin-2-yl)pentane-1,5-dione (PubChem CID 57285892) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2,4-diamino-1,5-bis(5-oxopyrrolidin-2-yl)pentane-1,5-dione.

Molecular Properties

Compound Name2,4-diamino-1,5-bis(5-oxopyrrolidin-2-yl)pentane-1,5-dione
PubChem CID57285892
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Name2,4-diamino-1,5-bis(5-oxopyrrolidin-2-yl)pentane-1,5-dione
SMILESNC(CC(N)C(=O)C1CCC(=O)N1)C(=O)C1CCC(=O)N1
InChIInChI=1S/C13H20N4O4/c14-6(12(20)8-1-3-10(18)16-8)5-7(15)13(21)9-2-4-11(19)17-9/h6-9H,1-5,14-15H2,(H,16,18)(H,17,19)
InChIKeyVDILJQNTPNMNOJ-UHFFFAOYSA-N
XLogP-2.27
TPSA144.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 5-2.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-1,5-bis(5-oxopyrrolidin-2-yl)pentane-1,5-dione?
The IUPAC name of 2,4-diamino-1,5-bis(5-oxopyrrolidin-2-yl)pentane-1,5-dione (CID 57285892) is 2,4-diamino-1,5-bis(5-oxopyrrolidin-2-yl)pentane-1,5-dione.
What is the SMILES notation for 2,4-diamino-1,5-bis(5-oxopyrrolidin-2-yl)pentane-1,5-dione?
The canonical SMILES for 2,4-diamino-1,5-bis(5-oxopyrrolidin-2-yl)pentane-1,5-dione is NC(CC(N)C(=O)C1CCC(=O)N1)C(=O)C1CCC(=O)N1.
What is the InChIKey of 2,4-diamino-1,5-bis(5-oxopyrrolidin-2-yl)pentane-1,5-dione?
The InChIKey is VDILJQNTPNMNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4/c14-6(12(20)8-1-3-10(18)16-8)5-7(15)13(21)9-2-4-11(19)17-9/h6-9H,1-5,14-15H2,(H,16,18)(H,17,19).
What are the key properties of 2,4-diamino-1,5-bis(5-oxopyrrolidin-2-yl)pentane-1,5-dione?
2,4-diamino-1,5-bis(5-oxopyrrolidin-2-yl)pentane-1,5-dione has a molecular weight of 296.33 g/mol, XLogP of -2.27, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-1,5-bis(5-oxopyrrolidin-2-yl)pentane-1,5-dione is sourced from PubChem (CID 57285892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).