(2S)-2-amino-6-(2-methylbutylamino)hexanoic acid

C11H24N2O2 — CID 89009383

IUPAC(2S)-2-amino-6-(2-methylbutylamino)hexanoic acid
SMILESCCC(C)CNCCCC[C@H](N)C(=O)O
InChIInChI=1S/C11H24N2O2/c1-3-9(2)8-13-7-5-4-6-10(12)11(14)15/h9-10,13H,3-8,12H2,1-2H3,(H,14,15)/t9?,10-/m0/s1
InChIKeyUROJHGVOPODQCJ-AXDSSHIGSA-N
MW216.32 g/mol
LogP1.20
Rot. Bonds9

About (2S)-2-amino-6-(2-methylbutylamino)hexanoic acid

(2S)-2-amino-6-(2-methylbutylamino)hexanoic acid (PubChem CID 89009383) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is (2S)-2-amino-6-(2-methylbutylamino)hexanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-6-(2-methylbutylamino)hexanoic acid
PubChem CID89009383
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name(2S)-2-amino-6-(2-methylbutylamino)hexanoic acid
SMILESCCC(C)CNCCCC[C@H](N)C(=O)O
InChIInChI=1S/C11H24N2O2/c1-3-9(2)8-13-7-5-4-6-10(12)11(14)15/h9-10,13H,3-8,12H2,1-2H3,(H,14,15)/t9?,10-/m0/s1
InChIKeyUROJHGVOPODQCJ-AXDSSHIGSA-N
XLogP1.20
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-8-methyldecanoic acid
CID 167110003
2-amino-6-(3-methylbutylamino)hexanoic acid
CID 90718970
2-amino-5-(ethylamino)pentanoic acid
CID 4868762
(2S)-2-amino-6-(3,3-dimethylbutylamino)hexanoic acid
CID 88581012
(2S)-2-amino-6-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]hexanoic acid
CID 167312289
(2S)-2-amino-6-(methylamino)hexanoic acid;ethane
CID 144761266
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
(2S)-2-amino-6-(2,2,2-trifluoroethylamino)hexanoic acid
CID 100914511
(2S)-2-amino-6-[[(2S,3S)-2,3-dihydroxy-5,6-dioxo(113C)hexyl]amino]hexanoic acid
CID 101167528
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
5-(2-methylbutylamino)pentan-2-ol
CID 107267802
2-amino-6-(phosphanylamino)hexanoic acid
CID 58918471

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-6-(2-methylbutylamino)hexanoic acid?
The IUPAC name of (2S)-2-amino-6-(2-methylbutylamino)hexanoic acid (CID 89009383) is (2S)-2-amino-6-(2-methylbutylamino)hexanoic acid.
What is the SMILES notation for (2S)-2-amino-6-(2-methylbutylamino)hexanoic acid?
The canonical SMILES for (2S)-2-amino-6-(2-methylbutylamino)hexanoic acid is CCC(C)CNCCCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-6-(2-methylbutylamino)hexanoic acid?
The InChIKey is UROJHGVOPODQCJ-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-3-9(2)8-13-7-5-4-6-10(12)11(14)15/h9-10,13H,3-8,12H2,1-2H3,(H,14,15)/t9?,10-/m0/s1.
What are the key properties of (2S)-2-amino-6-(2-methylbutylamino)hexanoic acid?
(2S)-2-amino-6-(2-methylbutylamino)hexanoic acid has a molecular weight of 216.32 g/mol, XLogP of 1.20, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-6-(2-methylbutylamino)hexanoic acid is sourced from PubChem (CID 89009383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).