2,4,8-triamino-2-(2-aminoacetyl)-3-oxooctanamide

C10H21N5O3 — CID 174452510

IUPAC2,4,8-triamino-2-(2-aminoacetyl)-3-oxooctanamide
SMILESNCCCCC(N)C(=O)C(N)(C(N)=O)C(=O)CN
InChIInChI=1S/C10H21N5O3/c11-4-2-1-3-6(13)8(17)10(15,9(14)18)7(16)5-12/h6H,1-5,11-13,15H2,(H2,14,18)
InChIKeyVYTLJQAVQXOGEC-UHFFFAOYSA-N
MW259.31 g/mol
LogP-3.28
Rot. Bonds9

About 2,4,8-triamino-2-(2-aminoacetyl)-3-oxooctanamide

2,4,8-triamino-2-(2-aminoacetyl)-3-oxooctanamide (PubChem CID 174452510) has the molecular formula C10H21N5O3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2,4,8-triamino-2-(2-aminoacetyl)-3-oxooctanamide.

Molecular Properties

Compound Name2,4,8-triamino-2-(2-aminoacetyl)-3-oxooctanamide
PubChem CID174452510
Molecular FormulaC10H21N5O3
Molecular Weight259.31 g/mol
Exact Mass259.16
IUPAC Name2,4,8-triamino-2-(2-aminoacetyl)-3-oxooctanamide
SMILESNCCCCC(N)C(=O)C(N)(C(N)=O)C(=O)CN
InChIInChI=1S/C10H21N5O3/c11-4-2-1-3-6(13)8(17)10(15,9(14)18)7(16)5-12/h6H,1-5,11-13,15H2,(H2,14,18)
InChIKeyVYTLJQAVQXOGEC-UHFFFAOYSA-N
XLogP-3.28
TPSA181.31 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-3.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2,4,8-triamino-2-(2-aminoacetyl)-3-oxooctanamide 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

(2R,4S)-2,4,8-triamino-2-(hydroxymethyl)-3-oxooctanoic acid
CID 141082630
4,4,6,10-tetraaminodecan-5-one
CID 126506063
(5S)-5,9-diamino-3,3-dimethylnonan-4-one
CID 166782124
(4S)-2,4,8-triamino-2-ethyl-3-oxooctanoic acid
CID 139916200
(2S)-2,6-diaminohexanoic acid;urea
CID 87191156
carbamic acid;(2S)-2,6-diaminohexanoic acid
CID 87706019
4,8-diamino-2,2-dimethyl-1-sulfanyloctan-3-one
CID 139474804
2,6-diamino(1,2,3,4,5,6-13C6)hexanoic acid
CID 155890004
2,13-diaminotridecanoic acid
CID 141414897
tris((2S)-2,6-diaminohexanoic acid);iron
CID 153408479
(2S)-2,6-diaminohexanoic acid;gold
CID 174858889
2-amino-6-(15N)azanylhexanoic acid;dihydrochloride
CID 45157533

Frequently Asked Questions

What is the IUPAC name of 2,4,8-triamino-2-(2-aminoacetyl)-3-oxooctanamide?
The IUPAC name of 2,4,8-triamino-2-(2-aminoacetyl)-3-oxooctanamide (CID 174452510) is 2,4,8-triamino-2-(2-aminoacetyl)-3-oxooctanamide.
What is the SMILES notation for 2,4,8-triamino-2-(2-aminoacetyl)-3-oxooctanamide?
The canonical SMILES for 2,4,8-triamino-2-(2-aminoacetyl)-3-oxooctanamide is NCCCCC(N)C(=O)C(N)(C(N)=O)C(=O)CN.
What is the InChIKey of 2,4,8-triamino-2-(2-aminoacetyl)-3-oxooctanamide?
The InChIKey is VYTLJQAVQXOGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5O3/c11-4-2-1-3-6(13)8(17)10(15,9(14)18)7(16)5-12/h6H,1-5,11-13,15H2,(H2,14,18).
What are the key properties of 2,4,8-triamino-2-(2-aminoacetyl)-3-oxooctanamide?
2,4,8-triamino-2-(2-aminoacetyl)-3-oxooctanamide has a molecular weight of 259.31 g/mol, XLogP of -3.28, 9 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,8-triamino-2-(2-aminoacetyl)-3-oxooctanamide is sourced from PubChem (CID 174452510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).