4-amino-N-(5-amino-6-oxohexyl)-5-oxopentanamide

C11H21N3O3 — CID 138742930

IUPAC4-amino-N-(5-amino-6-oxohexyl)-5-oxopentanamide
SMILESNC(C=O)CCCCNC(=O)CCC(N)C=O
InChIInChI=1S/C11H21N3O3/c12-9(7-15)3-1-2-6-14-11(17)5-4-10(13)8-16/h7-10H,1-6,12-13H2,(H,14,17)
InChIKeyXKKALUKQOJMVLL-UHFFFAOYSA-N
MW243.31 g/mol
LogP-0.89
Rot. Bonds10

About 4-amino-N-(5-amino-6-oxohexyl)-5-oxopentanamide

4-amino-N-(5-amino-6-oxohexyl)-5-oxopentanamide (PubChem CID 138742930) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-amino-N-(5-amino-6-oxohexyl)-5-oxopentanamide.

Molecular Properties

Compound Name4-amino-N-(5-amino-6-oxohexyl)-5-oxopentanamide
PubChem CID138742930
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name4-amino-N-(5-amino-6-oxohexyl)-5-oxopentanamide
SMILESNC(C=O)CCCCNC(=O)CCC(N)C=O
InChIInChI=1S/C11H21N3O3/c12-9(7-15)3-1-2-6-14-11(17)5-4-10(13)8-16/h7-10H,1-6,12-13H2,(H,14,17)
InChIKeyXKKALUKQOJMVLL-UHFFFAOYSA-N
XLogP-0.89
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-amino-N-(5-amino-6-oxohexyl)-5-oxopentanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(5S)-5-amino-6-oxohexyl]-2-methylpropanamide
CID 138751316
14-[[4-[[(1S)-4-[[(5S)-5-amino-6-oxohexyl]amino]-1-carboxy-4-oxobutyl]amino]-1-carboxy-4-oxobutyl]amino]-14-oxotetradecanoic acid
CID 134495517
16-[[4-[[4-[(5-amino-6-oxohexyl)amino]-1-carboxy-4-oxobutyl]amino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid
CID 168992358
18-[2-[2-[2-[2-[2-[2-[(5-amino-6-oxohexyl)amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-18-oxooctadecanoic acid
CID 123831467
4-amino-N-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-oxopentanamide
CID 177324928
N-[(5S)-5-amino-6-oxohexyl]-2-(2-propoxyethoxy)acetamide
CID 177325899
N-(5-amino-6-oxohexyl)-2-[2-(2-formamidoethoxy)ethoxy]acetamide
CID 145263560
2,5-diamino-N-[(5S)-5-amino-6-oxohexyl]pentanamide
CID 143981855
20-[[(1S)-4-[2-[2-[2-[2-[2-[2-[[(5S)-5-amino-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-20-oxoicosanoic acid
CID 155232244
20-[[4-[2-[2-[2-[2-[2-[2-[(5-amino-6-oxohexyl)amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-20-oxoicosanoic acid
CID 143864267
18-[[4-[2-[2-[2-[2-[2-[2-[(5-amino-6-oxohexyl)amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-18-oxooctadecanoic acid
CID 123862795
4-methyl-N-(6-methylheptyl)pentanamide
CID 129055781

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-amino-6-oxohexyl)-5-oxopentanamide?
The IUPAC name of 4-amino-N-(5-amino-6-oxohexyl)-5-oxopentanamide (CID 138742930) is 4-amino-N-(5-amino-6-oxohexyl)-5-oxopentanamide.
What is the SMILES notation for 4-amino-N-(5-amino-6-oxohexyl)-5-oxopentanamide?
The canonical SMILES for 4-amino-N-(5-amino-6-oxohexyl)-5-oxopentanamide is NC(C=O)CCCCNC(=O)CCC(N)C=O.
What is the InChIKey of 4-amino-N-(5-amino-6-oxohexyl)-5-oxopentanamide?
The InChIKey is XKKALUKQOJMVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c12-9(7-15)3-1-2-6-14-11(17)5-4-10(13)8-16/h7-10H,1-6,12-13H2,(H,14,17).
What are the key properties of 4-amino-N-(5-amino-6-oxohexyl)-5-oxopentanamide?
4-amino-N-(5-amino-6-oxohexyl)-5-oxopentanamide has a molecular weight of 243.31 g/mol, XLogP of -0.89, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-amino-6-oxohexyl)-5-oxopentanamide is sourced from PubChem (CID 138742930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).