(2S)-6-amino-2-[methyl(propyl)amino]hexanoic acid

C10H22N2O2 — CID 150390621

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

About (2S)-6-amino-2-[methyl(propyl)amino]hexanoic acid

(2S)-6-amino-2-[methyl(propyl)amino]hexanoic acid (PubChem CID 150390621) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (2S)-6-amino-2-[methyl(propyl)amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-6-amino-2-[methyl(propyl)amino]hexanoic acid
PubChem CID150390621
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name(2S)-6-amino-2-[methyl(propyl)amino]hexanoic acid
SMILESCCCN(C)[C@@H](CCCCN)C(=O)O
InChIInChI=1S/C10H22N2O2/c1-3-8-12(2)9(10(13)14)6-4-5-7-11/h9H,3-8,11H2,1-2H3,(H,13,14)/t9-/m0/s1
InChIKeyHBPXIKCOFLTGFZ-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'}

Analyze (2S)-6-amino-2-[methyl(propyl)amino]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

Related Compounds

Saccharopine
CID 160556
epsilon-Acetyl-L-lysine
CID 92832
N-Acetyl-L-Lysine
CID 92907
Trimethyllysine
CID 440121
Nepsilon-(Carboxymethyl)lysine
CID 123800
epsilon-Methyl-L-lysine
CID 164795
N-6-Trimethyllysine
CID 440120
(2S)-2-acetamido-6-azaniumylhexanoate
CID 6992697
L-Lysine, acetate (1:1)
CID 104152
N(6),N(6)-Dimethyl-L-lysine
CID 193344
Ala-Lys
CID 7016106
Octopinic acid
CID 13748388

Frequently Asked Questions

What is the IUPAC name of (2S)-6-amino-2-[methyl(propyl)amino]hexanoic acid?
The IUPAC name of (2S)-6-amino-2-[methyl(propyl)amino]hexanoic acid (CID 150390621) is (2S)-6-amino-2-[methyl(propyl)amino]hexanoic acid.
What is the SMILES notation for (2S)-6-amino-2-[methyl(propyl)amino]hexanoic acid?
The canonical SMILES for (2S)-6-amino-2-[methyl(propyl)amino]hexanoic acid is CCCN(C)[C@@H](CCCCN)C(=O)O.
What is the InChIKey of (2S)-6-amino-2-[methyl(propyl)amino]hexanoic acid?
The InChIKey is HBPXIKCOFLTGFZ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H22N2O2/c1-3-8-12(2)9(10(13)14)6-4-5-7-11/h9H,3-8,11H2,1-2H3,(H,13,14)/t9-/m0/s1.
What are the key properties of (2S)-6-amino-2-[methyl(propyl)amino]hexanoic acid?
(2S)-6-amino-2-[methyl(propyl)amino]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)-6-amino-2-[methyl(propyl)amino]hexanoic acid is sourced from PubChem (CID 150390621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).