(2S)-2-amino-6-(pentan-2-ylideneamino)hexanoic acid

C11H22N2O2 — CID 146672937

IUPAC(2S)-2-amino-6-(pentan-2-ylideneamino)hexanoic acid
SMILESCCC/C(C)=N/CCCC[C@H](N)C(=O)O
InChIInChI=1S/C11H22N2O2/c1-3-6-9(2)13-8-5-4-7-10(12)11(14)15/h10H,3-8,12H2,1-2H3,(H,14,15)/b13-9+/t10-/m0/s1
InChIKeyOPJYFGJKMVLUDU-YWEFTTLKSA-N
MW214.31 g/mol
LogP1.83
Rot. Bonds8

About (2S)-2-amino-6-(pentan-2-ylideneamino)hexanoic acid

(2S)-2-amino-6-(pentan-2-ylideneamino)hexanoic acid (PubChem CID 146672937) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (2S)-2-amino-6-(pentan-2-ylideneamino)hexanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-6-(pentan-2-ylideneamino)hexanoic acid
PubChem CID146672937
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(2S)-2-amino-6-(pentan-2-ylideneamino)hexanoic acid
SMILESCCC/C(C)=N/CCCC[C@H](N)C(=O)O
InChIInChI=1S/C11H22N2O2/c1-3-6-9(2)13-8-5-4-7-10(12)11(14)15/h10H,3-8,12H2,1-2H3,(H,14,15)/b13-9+/t10-/m0/s1
InChIKeyOPJYFGJKMVLUDU-YWEFTTLKSA-N
XLogP1.83
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-6-(pentan-2-ylideneamino)hexanoic acid?
The IUPAC name of (2S)-2-amino-6-(pentan-2-ylideneamino)hexanoic acid (CID 146672937) is (2S)-2-amino-6-(pentan-2-ylideneamino)hexanoic acid.
What is the SMILES notation for (2S)-2-amino-6-(pentan-2-ylideneamino)hexanoic acid?
The canonical SMILES for (2S)-2-amino-6-(pentan-2-ylideneamino)hexanoic acid is CCC/C(C)=N/CCCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-6-(pentan-2-ylideneamino)hexanoic acid?
The InChIKey is OPJYFGJKMVLUDU-YWEFTTLKSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-6-9(2)13-8-5-4-7-10(12)11(14)15/h10H,3-8,12H2,1-2H3,(H,14,15)/b13-9+/t10-/m0/s1.
What are the key properties of (2S)-2-amino-6-(pentan-2-ylideneamino)hexanoic acid?
(2S)-2-amino-6-(pentan-2-ylideneamino)hexanoic acid has a molecular weight of 214.31 g/mol, XLogP of 1.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-6-(pentan-2-ylideneamino)hexanoic acid is sourced from PubChem (CID 146672937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).