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

C8H18N2O2 — CID 54210468

IUPAC(2S)-6-amino-2-(ethylamino)hexanoic acid
SMILESCCN[C@@H](CCCCN)C(=O)O
InChIInChI=1S/C8H18N2O2/c1-2-10-7(8(11)12)5-3-4-6-9/h7,10H,2-6,9H2,1H3,(H,11,12)/t7-/m0/s1
InChIKeyPVPFJQSVZPTWMY-ZETCQYMHSA-N
MW174.24 g/mol
LogP0.18
Rot. Bonds7

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

(2S)-6-amino-2-(ethylamino)hexanoic acid (PubChem CID 54210468) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is (2S)-6-amino-2-(ethylamino)hexanoic acid.

Molecular Properties

Compound Name(2S)-6-amino-2-(ethylamino)hexanoic acid
PubChem CID54210468
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name(2S)-6-amino-2-(ethylamino)hexanoic acid
SMILESCCN[C@@H](CCCCN)C(=O)O
InChIInChI=1S/C8H18N2O2/c1-2-10-7(8(11)12)5-3-4-6-9/h7,10H,2-6,9H2,1H3,(H,11,12)/t7-/m0/s1
InChIKeyPVPFJQSVZPTWMY-ZETCQYMHSA-N
XLogP0.18
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-6-amino-2-(ethylamino)hexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-6-amino-2-(ethylamino)hexanoic acid?
The IUPAC name of (2S)-6-amino-2-(ethylamino)hexanoic acid (CID 54210468) is (2S)-6-amino-2-(ethylamino)hexanoic acid.
What is the SMILES notation for (2S)-6-amino-2-(ethylamino)hexanoic acid?
The canonical SMILES for (2S)-6-amino-2-(ethylamino)hexanoic acid is CCN[C@@H](CCCCN)C(=O)O.
What is the InChIKey of (2S)-6-amino-2-(ethylamino)hexanoic acid?
The InChIKey is PVPFJQSVZPTWMY-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-2-10-7(8(11)12)5-3-4-6-9/h7,10H,2-6,9H2,1H3,(H,11,12)/t7-/m0/s1.
What are the key properties of (2S)-6-amino-2-(ethylamino)hexanoic acid?
(2S)-6-amino-2-(ethylamino)hexanoic acid has a molecular weight of 174.24 g/mol, XLogP of 0.18, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-amino-2-(ethylamino)hexanoic acid is sourced from PubChem (CID 54210468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).