2,5-diamino-N-[(5S)-5-amino-6-oxohexyl]pentanamide

C11H24N4O2 — CID 143981855

IUPAC2,5-diamino-N-[(5S)-5-amino-6-oxohexyl]pentanamide
SMILESNCCCC(N)C(=O)NCCCC[C@H](N)C=O
InChIInChI=1S/C11H24N4O2/c12-6-3-5-10(14)11(17)15-7-2-1-4-9(13)8-16/h8-10H,1-7,12-14H2,(H,15,17)/t9-,10?/m0/s1
InChIKeyWPZYBKRRXDHVFE-RGURZIINSA-N
MW244.34 g/mol
LogP-1.13
Rot. Bonds10

About 2,5-diamino-N-[(5S)-5-amino-6-oxohexyl]pentanamide

2,5-diamino-N-[(5S)-5-amino-6-oxohexyl]pentanamide (PubChem CID 143981855) has the molecular formula C11H24N4O2 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2,5-diamino-N-[(5S)-5-amino-6-oxohexyl]pentanamide.

Molecular Properties

Compound Name2,5-diamino-N-[(5S)-5-amino-6-oxohexyl]pentanamide
PubChem CID143981855
Molecular FormulaC11H24N4O2
Molecular Weight244.34 g/mol
Exact Mass244.19
IUPAC Name2,5-diamino-N-[(5S)-5-amino-6-oxohexyl]pentanamide
SMILESNCCCC(N)C(=O)NCCCC[C@H](N)C=O
InChIInChI=1S/C11H24N4O2/c12-6-3-5-10(14)11(17)15-7-2-1-4-9(13)8-16/h8-10H,1-7,12-14H2,(H,15,17)/t9-,10?/m0/s1
InChIKeyWPZYBKRRXDHVFE-RGURZIINSA-N
XLogP-1.13
TPSA124.23 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 5-1.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,5-diamino-N-[(5S)-5-amino-6-oxohexyl]pentanamide 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

(2S)-2,6-diamino-N-[4-(4-aminobutylamino)butyl]hexanamide
CID 11022527
2,6-diamino-N-[10-(2,6-diaminohexanoylamino)decyl]hexanamide
CID 4011235
(2S)-2,6-diamino-N-[6-[[(2S)-2,6-diaminohexanoyl]amino]hexyl]hexanamide
CID 100984594
2,6-diamino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]hexanamide
CID 23400695
N-[(5S)-5-amino-6-oxohexyl]-2-methylpropanamide
CID 138751316
(2S)-2,6-diamino-N-[2-[[(2S)-2,6-diaminohexanoyl]amino]ethyl]hexanamide
CID 57079658
(2S)-2,6-diamino-N-[(5S)-5-amino-6-oxoheptyl]hexanamide
CID 89285466
(2S)-2,6-diamino-N-hexadecylhexanamide
CID 10595298
(2R)-2,6-diamino-N-dodecylhexanamide
CID 10663029
2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(butylamino)hexanamide
CID 23400711
(2R)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(octadecylamino)hexanamide
CID 11621214
(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(2-methylpropylamino)hexanamide
CID 88877305

Frequently Asked Questions

What is the IUPAC name of 2,5-diamino-N-[(5S)-5-amino-6-oxohexyl]pentanamide?
The IUPAC name of 2,5-diamino-N-[(5S)-5-amino-6-oxohexyl]pentanamide (CID 143981855) is 2,5-diamino-N-[(5S)-5-amino-6-oxohexyl]pentanamide.
What is the SMILES notation for 2,5-diamino-N-[(5S)-5-amino-6-oxohexyl]pentanamide?
The canonical SMILES for 2,5-diamino-N-[(5S)-5-amino-6-oxohexyl]pentanamide is NCCCC(N)C(=O)NCCCC[C@H](N)C=O.
What is the InChIKey of 2,5-diamino-N-[(5S)-5-amino-6-oxohexyl]pentanamide?
The InChIKey is WPZYBKRRXDHVFE-RGURZIINSA-N. The full InChI is InChI=1S/C11H24N4O2/c12-6-3-5-10(14)11(17)15-7-2-1-4-9(13)8-16/h8-10H,1-7,12-14H2,(H,15,17)/t9-,10?/m0/s1.
What are the key properties of 2,5-diamino-N-[(5S)-5-amino-6-oxohexyl]pentanamide?
2,5-diamino-N-[(5S)-5-amino-6-oxohexyl]pentanamide has a molecular weight of 244.34 g/mol, XLogP of -1.13, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diamino-N-[(5S)-5-amino-6-oxohexyl]pentanamide is sourced from PubChem (CID 143981855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).