6-amino-2-[(2-amino-3-methylpentanoyl)amino]hexanoic acid

C12H25N3O3 — CID 14299177

IUPAC6-amino-2-[(2-amino-3-methylpentanoyl)amino]hexanoic acid
SMILESCCC(C)C(N)C(=O)NC(CCCCN)C(=O)O
InChIInChI=1S/C12H25N3O3/c1-3-8(2)10(14)11(16)15-9(12(17)18)6-4-5-7-13/h8-10H,3-7,13-14H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyUWBDLNOCIDGPQE-UHFFFAOYSA-N
MW259.35 g/mol
LogP0.06
Rot. Bonds9

About 6-amino-2-[(2-amino-3-methylpentanoyl)amino]hexanoic acid

6-amino-2-[(2-amino-3-methylpentanoyl)amino]hexanoic acid (PubChem CID 14299177) has the molecular formula C12H25N3O3 and a molecular weight of 259.35 g/mol. Its IUPAC name is 6-amino-2-[(2-amino-3-methylpentanoyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-amino-2-[(2-amino-3-methylpentanoyl)amino]hexanoic acid
PubChem CID14299177
Molecular FormulaC12H25N3O3
Molecular Weight259.35 g/mol
Exact Mass259.19
IUPAC Name6-amino-2-[(2-amino-3-methylpentanoyl)amino]hexanoic acid
SMILESCCC(C)C(N)C(=O)NC(CCCCN)C(=O)O
InChIInChI=1S/C12H25N3O3/c1-3-8(2)10(14)11(16)15-9(12(17)18)6-4-5-7-13/h8-10H,3-7,13-14H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyUWBDLNOCIDGPQE-UHFFFAOYSA-N
XLogP0.06
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 50.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[(2-amino-3-methylpentanoyl)amino]hexanoic acid?
The IUPAC name of 6-amino-2-[(2-amino-3-methylpentanoyl)amino]hexanoic acid (CID 14299177) is 6-amino-2-[(2-amino-3-methylpentanoyl)amino]hexanoic acid.
What is the SMILES notation for 6-amino-2-[(2-amino-3-methylpentanoyl)amino]hexanoic acid?
The canonical SMILES for 6-amino-2-[(2-amino-3-methylpentanoyl)amino]hexanoic acid is CCC(C)C(N)C(=O)NC(CCCCN)C(=O)O.
What is the InChIKey of 6-amino-2-[(2-amino-3-methylpentanoyl)amino]hexanoic acid?
The InChIKey is UWBDLNOCIDGPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3/c1-3-8(2)10(14)11(16)15-9(12(17)18)6-4-5-7-13/h8-10H,3-7,13-14H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 6-amino-2-[(2-amino-3-methylpentanoyl)amino]hexanoic acid?
6-amino-2-[(2-amino-3-methylpentanoyl)amino]hexanoic acid has a molecular weight of 259.35 g/mol, XLogP of 0.06, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[(2-amino-3-methylpentanoyl)amino]hexanoic acid is sourced from PubChem (CID 14299177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).