acetic acid;(2S)-6-amino-2-(ethylamino)hexanoic acid

C10H22N2O4 — CID 162326558

IUPACacetic acid;(2S)-6-amino-2-(ethylamino)hexanoic acid
SMILESCC(=O)O.CCN[C@@H](CCCCN)C(=O)O
InChIInChI=1S/C8H18N2O2.C2H4O2/c1-2-10-7(8(11)12)5-3-4-6-9;1-2(3)4/h7,10H,2-6,9H2,1H3,(H,11,12);1H3,(H,3,4)/t7-;/m0./s1
InChIKeyQZPFOZMANBAALJ-FJXQXJEOSA-N
MW234.30 g/mol
LogP0.27
Rot. Bonds7

About acetic acid;(2S)-6-amino-2-(ethylamino)hexanoic acid

acetic acid;(2S)-6-amino-2-(ethylamino)hexanoic acid (PubChem CID 162326558) has the molecular formula C10H22N2O4 and a molecular weight of 234.30 g/mol. Its IUPAC name is acetic acid;(2S)-6-amino-2-(ethylamino)hexanoic acid.

Molecular Properties

Compound Nameacetic acid;(2S)-6-amino-2-(ethylamino)hexanoic acid
PubChem CID162326558
Molecular FormulaC10H22N2O4
Molecular Weight234.30 g/mol
Exact Mass234.16
IUPAC Nameacetic acid;(2S)-6-amino-2-(ethylamino)hexanoic acid
SMILESCC(=O)O.CCN[C@@H](CCCCN)C(=O)O
InChIInChI=1S/C8H18N2O2.C2H4O2/c1-2-10-7(8(11)12)5-3-4-6-9;1-2(3)4/h7,10H,2-6,9H2,1H3,(H,11,12);1H3,(H,3,4)/t7-;/m0./s1
InChIKeyQZPFOZMANBAALJ-FJXQXJEOSA-N
XLogP0.27
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.27
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

6-amino-2-(ethylamino)hexanoic acid;dihydrochloride
CID 175594704
(2R)-5-amino-2-(ethylamino)pentanoic acid
CID 143752846
(2S)-4-amino-2-(ethylamino)butanoic acid
CID 89433986
(2S)-6-amino-2-(ethylamino)hexanamide
CID 90248692
8-amino-4-(ethylamino)octan-3-one
CID 20755672
6-amino-2-(hydroxymethylamino)hexanoic acid
CID 18519143
6-amino-2-(carboxymethylamino)hexanoic acid
CID 11680034
(2R)-6-amino-2-(hydroxyamino)hexanoic acid
CID 87193141
(2S)-6-amino-2-(hydroxyamino)hexanoic acid;propanoic acid
CID 118384370
(2S)-6-amino-2-(octylamino)hexanoic acid
CID 88516426
6-amino-2-(hexylamino)hexanoic acid
CID 87424914
6-amino-2-(pentylamino)hexanoic acid;azane
CID 174768521

Frequently Asked Questions

What is the IUPAC name of acetic acid;(2S)-6-amino-2-(ethylamino)hexanoic acid?
The IUPAC name of acetic acid;(2S)-6-amino-2-(ethylamino)hexanoic acid (CID 162326558) is acetic acid;(2S)-6-amino-2-(ethylamino)hexanoic acid.
What is the SMILES notation for acetic acid;(2S)-6-amino-2-(ethylamino)hexanoic acid?
The canonical SMILES for acetic acid;(2S)-6-amino-2-(ethylamino)hexanoic acid is CC(=O)O.CCN[C@@H](CCCCN)C(=O)O.
What is the InChIKey of acetic acid;(2S)-6-amino-2-(ethylamino)hexanoic acid?
The InChIKey is QZPFOZMANBAALJ-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H18N2O2.C2H4O2/c1-2-10-7(8(11)12)5-3-4-6-9;1-2(3)4/h7,10H,2-6,9H2,1H3,(H,11,12);1H3,(H,3,4)/t7-;/m0./s1.
What are the key properties of acetic acid;(2S)-6-amino-2-(ethylamino)hexanoic acid?
acetic acid;(2S)-6-amino-2-(ethylamino)hexanoic acid has a molecular weight of 234.30 g/mol, XLogP of 0.27, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;(2S)-6-amino-2-(ethylamino)hexanoic acid is sourced from PubChem (CID 162326558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).