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

C10H22N2O2 — CID 53320301

IUPAC(2S)-2-amino-6-(diethylamino)hexanoic acid
SMILESCCN(CC)CCCC[C@H](N)C(=O)O
InChIInChI=1S/C10H22N2O2/c1-3-12(4-2)8-6-5-7-9(11)10(13)14/h9H,3-8,11H2,1-2H3,(H,13,14)/t9-/m0/s1
InChIKeyLBVIZDDNHRTLPY-VIFPVBQESA-N
MW202.30 g/mol
LogP0.91
Rot. Bonds8

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

(2S)-2-amino-6-(diethylamino)hexanoic acid (PubChem CID 53320301) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (2S)-2-amino-6-(diethylamino)hexanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-6-(diethylamino)hexanoic acid
PubChem CID53320301
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name(2S)-2-amino-6-(diethylamino)hexanoic acid
SMILESCCN(CC)CCCC[C@H](N)C(=O)O
InChIInChI=1S/C10H22N2O2/c1-3-12(4-2)8-6-5-7-9(11)10(13)14/h9H,3-8,11H2,1-2H3,(H,13,14)/t9-/m0/s1
InChIKeyLBVIZDDNHRTLPY-VIFPVBQESA-N
XLogP0.91
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.91
H-Bond Donors ≤ 52
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-(dimethylamino)hexanoic acid;ethane
CID 177245948
2-amino-3-[3-(diethylamino)propyl-ethylamino]propanoic acid
CID 102994758
2-amino-6-[bis[(2R)-2-hydroxydodecyl]amino]hexanoic acid
CID 154597375
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
2-deuteriooxycarbonyl-6-(diethylamino)hexanoic acid
CID 175833468
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
2-aminotetracosanoic acid
CID 88730229
(2S)-2-aminododecanoic acid
CID 10560640
(2S)-2-aminopentacosanoic acid
CID 158815459
2-[4-(diethylamino)butyl]butanedioic acid
CID 71543980
(2S)-2-amino-5-[hydroxy(pentyl)amino]pentanoic acid
CID 87566861
2-amino-6-[butanoyl(methyl)amino]hexanoic acid
CID 167006066

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-6-(diethylamino)hexanoic acid?
The IUPAC name of (2S)-2-amino-6-(diethylamino)hexanoic acid (CID 53320301) is (2S)-2-amino-6-(diethylamino)hexanoic acid.
What is the SMILES notation for (2S)-2-amino-6-(diethylamino)hexanoic acid?
The canonical SMILES for (2S)-2-amino-6-(diethylamino)hexanoic acid is CCN(CC)CCCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-6-(diethylamino)hexanoic acid?
The InChIKey is LBVIZDDNHRTLPY-VIFPVBQESA-N. The full InChI is InChI=1S/C10H22N2O2/c1-3-12(4-2)8-6-5-7-9(11)10(13)14/h9H,3-8,11H2,1-2H3,(H,13,14)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-6-(diethylamino)hexanoic acid?
(2S)-2-amino-6-(diethylamino)hexanoic acid has a molecular weight of 202.30 g/mol, XLogP of 0.91, 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-(diethylamino)hexanoic acid is sourced from PubChem (CID 53320301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).