N-(1,6-diamino-1-oxohexan-2-yl)-5-oxopyrrolidine-2-carboxamide

C11H20N4O3 — CID 71339039

IUPACN-(1,6-diamino-1-oxohexan-2-yl)-5-oxopyrrolidine-2-carboxamide
SMILESNCCCCC(NC(=O)C1CCC(=O)N1)C(N)=O
InChIInChI=1S/C11H20N4O3/c12-6-2-1-3-7(10(13)17)15-11(18)8-4-5-9(16)14-8/h7-8H,1-6,12H2,(H2,13,17)(H,14,16)(H,15,18)
InChIKeyDHHIMQXSWQUMRU-UHFFFAOYSA-N
MW256.31 g/mol
LogP-1.64
Rot. Bonds7

About N-(1,6-diamino-1-oxohexan-2-yl)-5-oxopyrrolidine-2-carboxamide

N-(1,6-diamino-1-oxohexan-2-yl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 71339039) has the molecular formula C11H20N4O3 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-(1,6-diamino-1-oxohexan-2-yl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(1,6-diamino-1-oxohexan-2-yl)-5-oxopyrrolidine-2-carboxamide
PubChem CID71339039
Molecular FormulaC11H20N4O3
Molecular Weight256.31 g/mol
Exact Mass256.15
IUPAC NameN-(1,6-diamino-1-oxohexan-2-yl)-5-oxopyrrolidine-2-carboxamide
SMILESNCCCCC(NC(=O)C1CCC(=O)N1)C(N)=O
InChIInChI=1S/C11H20N4O3/c12-6-2-1-3-7(10(13)17)15-11(18)8-4-5-9(16)14-8/h7-8H,1-6,12H2,(H2,13,17)(H,14,16)(H,15,18)
InChIKeyDHHIMQXSWQUMRU-UHFFFAOYSA-N
XLogP-1.64
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 5-1.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 N-(1,6-diamino-1-oxohexan-2-yl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(1,6-diamino-1-oxohexan-2-yl)-5-oxopyrrolidine-2-carboxamide (CID 71339039) is N-(1,6-diamino-1-oxohexan-2-yl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(1,6-diamino-1-oxohexan-2-yl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(1,6-diamino-1-oxohexan-2-yl)-5-oxopyrrolidine-2-carboxamide is NCCCCC(NC(=O)C1CCC(=O)N1)C(N)=O.
What is the InChIKey of N-(1,6-diamino-1-oxohexan-2-yl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is DHHIMQXSWQUMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3/c12-6-2-1-3-7(10(13)17)15-11(18)8-4-5-9(16)14-8/h7-8H,1-6,12H2,(H2,13,17)(H,14,16)(H,15,18).
What are the key properties of N-(1,6-diamino-1-oxohexan-2-yl)-5-oxopyrrolidine-2-carboxamide?
N-(1,6-diamino-1-oxohexan-2-yl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 256.31 g/mol, XLogP of -1.64, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,6-diamino-1-oxohexan-2-yl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 71339039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).