6-amino-2-[(2-amino-4-methylpentanoyl)amino]hexanoic acid

C12H25N3O3 — CID 14299197

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

About 6-amino-2-[(2-amino-4-methylpentanoyl)amino]hexanoic acid

6-amino-2-[(2-amino-4-methylpentanoyl)amino]hexanoic acid (PubChem CID 14299197) has the molecular formula C12H25N3O3 and a molecular weight of 259.35 g/mol. Its IUPAC name is 6-amino-2-[(2-amino-4-methylpentanoyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-amino-2-[(2-amino-4-methylpentanoyl)amino]hexanoic acid
PubChem CID14299197
Molecular FormulaC12H25N3O3
Molecular Weight259.35 g/mol
Exact Mass259.19
IUPAC Name6-amino-2-[(2-amino-4-methylpentanoyl)amino]hexanoic acid
SMILESCC(C)CC(N)C(=O)NC(CCCCN)C(=O)O
InChIInChI=1S/C12H25N3O3/c1-8(2)7-9(14)11(16)15-10(12(17)18)5-3-4-6-13/h8-10H,3-7,13-14H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyOTXBNHIUIHNGAO-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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Related Compounds

N-Acetyl-L-leucine
CID 70912
Glycyl-L-leucine
CID 92843
epsilon-Acetyl-L-lysine
CID 92832
Ala-Val
CID 96799
N-Acetyl-D-leucine
CID 1241420
N-Acetyl-L-Lysine
CID 92907
L-Leucyl-L-alanine
CID 81721
L-Alanyl-L-leucine
CID 96801
acetyl-DL-leucine
CID 1995
L-leucyl-L-leucine
CID 76807
Ala-Ile
CID 7408079
Leu-Gly
CID 97364

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[(2-amino-4-methylpentanoyl)amino]hexanoic acid?
The IUPAC name of 6-amino-2-[(2-amino-4-methylpentanoyl)amino]hexanoic acid (CID 14299197) is 6-amino-2-[(2-amino-4-methylpentanoyl)amino]hexanoic acid.
What is the SMILES notation for 6-amino-2-[(2-amino-4-methylpentanoyl)amino]hexanoic acid?
The canonical SMILES for 6-amino-2-[(2-amino-4-methylpentanoyl)amino]hexanoic acid is CC(C)CC(N)C(=O)NC(CCCCN)C(=O)O.
What is the InChIKey of 6-amino-2-[(2-amino-4-methylpentanoyl)amino]hexanoic acid?
The InChIKey is OTXBNHIUIHNGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3/c1-8(2)7-9(14)11(16)15-10(12(17)18)5-3-4-6-13/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-4-methylpentanoyl)amino]hexanoic acid?
6-amino-2-[(2-amino-4-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-4-methylpentanoyl)amino]hexanoic acid is sourced from PubChem (CID 14299197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).