(2S)-2-amino-6-(3,3-dimethylbutylamino)hexanoic acid

C12H26N2O2 — CID 88581012

IUPAC(2S)-2-amino-6-(3,3-dimethylbutylamino)hexanoic acid
SMILESCC(C)(C)CCNCCCC[C@H](N)C(=O)O
InChIInChI=1S/C12H26N2O2/c1-12(2,3)7-9-14-8-5-4-6-10(13)11(15)16/h10,14H,4-9,13H2,1-3H3,(H,15,16)/t10-/m0/s1
InChIKeyUDCDIDWZVLTIJF-JTQLQIEISA-N
MW230.35 g/mol
LogP1.59
Rot. Bonds8

About (2S)-2-amino-6-(3,3-dimethylbutylamino)hexanoic acid

(2S)-2-amino-6-(3,3-dimethylbutylamino)hexanoic acid (PubChem CID 88581012) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is (2S)-2-amino-6-(3,3-dimethylbutylamino)hexanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-6-(3,3-dimethylbutylamino)hexanoic acid
PubChem CID88581012
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name(2S)-2-amino-6-(3,3-dimethylbutylamino)hexanoic acid
SMILESCC(C)(C)CCNCCCC[C@H](N)C(=O)O
InChIInChI=1S/C12H26N2O2/c1-12(2,3)7-9-14-8-5-4-6-10(13)11(15)16/h10,14H,4-9,13H2,1-3H3,(H,15,16)/t10-/m0/s1
InChIKeyUDCDIDWZVLTIJF-JTQLQIEISA-N
XLogP1.59
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.59
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-6-(3-methylbutylamino)hexanoic acid
CID 90718970
(2S)-2-amino-6-(2,2,2-trifluoroethylamino)hexanoic acid
CID 100914511
2-amino-6-(phosphanylamino)hexanoic acid
CID 58918471
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
(2S)-2-amino-6-(methylamino)hexanoic acid;ethane
CID 144761266
2-amino-5-(ethylamino)pentanoic acid
CID 4868762
(2S)-2-amino-6-(2-methylbutylamino)hexanoic acid
CID 89009383
2-amino-6-(methylsulfanylcarbonylamino)hexanoic acid
CID 134355075
2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;ethane
CID 143611602
(2S)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;hydrochloride
CID 71518773
(2S)-2-amino-7-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoic acid
CID 121233552
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-6-(3,3-dimethylbutylamino)hexanoic acid?
The IUPAC name of (2S)-2-amino-6-(3,3-dimethylbutylamino)hexanoic acid (CID 88581012) is (2S)-2-amino-6-(3,3-dimethylbutylamino)hexanoic acid.
What is the SMILES notation for (2S)-2-amino-6-(3,3-dimethylbutylamino)hexanoic acid?
The canonical SMILES for (2S)-2-amino-6-(3,3-dimethylbutylamino)hexanoic acid is CC(C)(C)CCNCCCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-6-(3,3-dimethylbutylamino)hexanoic acid?
The InChIKey is UDCDIDWZVLTIJF-JTQLQIEISA-N. The full InChI is InChI=1S/C12H26N2O2/c1-12(2,3)7-9-14-8-5-4-6-10(13)11(15)16/h10,14H,4-9,13H2,1-3H3,(H,15,16)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-6-(3,3-dimethylbutylamino)hexanoic acid?
(2S)-2-amino-6-(3,3-dimethylbutylamino)hexanoic acid has a molecular weight of 230.35 g/mol, XLogP of 1.59, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-6-(3,3-dimethylbutylamino)hexanoic acid is sourced from PubChem (CID 88581012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).