2-amino-6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanamide

C13H20N4O4 — CID 23558128

IUPAC2-amino-6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanamide
SMILESNC(=O)C(N)CCCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C13H20N4O4/c14-9(13(15)21)3-1-2-7-16-10(18)6-8-17-11(19)4-5-12(17)20/h4-5,9H,1-3,6-8,14H2,(H2,15,21)(H,16,18)
InChIKeyFDTVCGJTJZYXDV-UHFFFAOYSA-N
MW296.33 g/mol
LogP-1.60
Rot. Bonds9

About 2-amino-6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanamide

2-amino-6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanamide (PubChem CID 23558128) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-amino-6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanamide.

Molecular Properties

Compound Name2-amino-6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanamide
PubChem CID23558128
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Name2-amino-6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanamide
SMILESNC(=O)C(N)CCCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C13H20N4O4/c14-9(13(15)21)3-1-2-7-16-10(18)6-8-17-11(19)4-5-12(17)20/h4-5,9H,1-3,6-8,14H2,(H2,15,21)(H,16,18)
InChIKeyFDTVCGJTJZYXDV-UHFFFAOYSA-N
XLogP-1.60
TPSA135.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 5-1.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-amino-6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanamide?
The IUPAC name of 2-amino-6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanamide (CID 23558128) is 2-amino-6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanamide.
What is the SMILES notation for 2-amino-6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanamide?
The canonical SMILES for 2-amino-6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanamide is NC(=O)C(N)CCCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 2-amino-6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanamide?
The InChIKey is FDTVCGJTJZYXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4/c14-9(13(15)21)3-1-2-7-16-10(18)6-8-17-11(19)4-5-12(17)20/h4-5,9H,1-3,6-8,14H2,(H2,15,21)(H,16,18).
What are the key properties of 2-amino-6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanamide?
2-amino-6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanamide has a molecular weight of 296.33 g/mol, XLogP of -1.60, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanamide is sourced from PubChem (CID 23558128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).