2-amino-N-(1,5-diamino-1-oxohex-5-en-2-yl)pentanediamide

C11H21N5O3 — CID 58276799

IUPAC2-amino-N-(1,5-diamino-1-oxohex-5-en-2-yl)pentanediamide
SMILESC=C(N)CCC(NC(=O)C(N)CCC(N)=O)C(N)=O
InChIInChI=1S/C11H21N5O3/c1-6(12)2-4-8(10(15)18)16-11(19)7(13)3-5-9(14)17/h7-8H,1-5,12-13H2,(H2,14,17)(H2,15,18)(H,16,19)
InChIKeyVBAISNKNZKEUGB-UHFFFAOYSA-N
MW271.32 g/mol
LogP-2.20
Rot. Bonds9

About 2-amino-N-(1,5-diamino-1-oxohex-5-en-2-yl)pentanediamide

2-amino-N-(1,5-diamino-1-oxohex-5-en-2-yl)pentanediamide (PubChem CID 58276799) has the molecular formula C11H21N5O3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-amino-N-(1,5-diamino-1-oxohex-5-en-2-yl)pentanediamide.

Molecular Properties

Compound Name2-amino-N-(1,5-diamino-1-oxohex-5-en-2-yl)pentanediamide
PubChem CID58276799
Molecular FormulaC11H21N5O3
Molecular Weight271.32 g/mol
Exact Mass271.16
IUPAC Name2-amino-N-(1,5-diamino-1-oxohex-5-en-2-yl)pentanediamide
SMILESC=C(N)CCC(NC(=O)C(N)CCC(N)=O)C(N)=O
InChIInChI=1S/C11H21N5O3/c1-6(12)2-4-8(10(15)18)16-11(19)7(13)3-5-9(14)17/h7-8H,1-5,12-13H2,(H2,14,17)(H2,15,18)(H,16,19)
InChIKeyVBAISNKNZKEUGB-UHFFFAOYSA-N
XLogP-2.20
TPSA167.32 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-2.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-(1,5-diamino-1-oxohex-5-en-2-yl)pentanediamide 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-N-(1,5-diamino-1-oxohex-5-en-2-yl)pentanediamide?
The IUPAC name of 2-amino-N-(1,5-diamino-1-oxohex-5-en-2-yl)pentanediamide (CID 58276799) is 2-amino-N-(1,5-diamino-1-oxohex-5-en-2-yl)pentanediamide.
What is the SMILES notation for 2-amino-N-(1,5-diamino-1-oxohex-5-en-2-yl)pentanediamide?
The canonical SMILES for 2-amino-N-(1,5-diamino-1-oxohex-5-en-2-yl)pentanediamide is C=C(N)CCC(NC(=O)C(N)CCC(N)=O)C(N)=O.
What is the InChIKey of 2-amino-N-(1,5-diamino-1-oxohex-5-en-2-yl)pentanediamide?
The InChIKey is VBAISNKNZKEUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O3/c1-6(12)2-4-8(10(15)18)16-11(19)7(13)3-5-9(14)17/h7-8H,1-5,12-13H2,(H2,14,17)(H2,15,18)(H,16,19).
What are the key properties of 2-amino-N-(1,5-diamino-1-oxohex-5-en-2-yl)pentanediamide?
2-amino-N-(1,5-diamino-1-oxohex-5-en-2-yl)pentanediamide has a molecular weight of 271.32 g/mol, XLogP of -2.20, 9 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,5-diamino-1-oxohex-5-en-2-yl)pentanediamide is sourced from PubChem (CID 58276799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).