(2S)-6-amino-2-(4-carboxybutylamino)hexanoic acid

C11H22N2O4 — CID 164521049

IUPAC(2S)-6-amino-2-(4-carboxybutylamino)hexanoic acid
SMILESNCCCC[C@H](NCCCCC(=O)O)C(=O)O
InChIInChI=1S/C11H22N2O4/c12-7-3-1-5-9(11(16)17)13-8-4-2-6-10(14)15/h9,13H,1-8,12H2,(H,14,15)(H,16,17)/t9-/m0/s1
InChIKeySLTMVYRGULXYIG-VIFPVBQESA-N
MW246.31 g/mol
LogP0.41
Rot. Bonds11

About (2S)-6-amino-2-(4-carboxybutylamino)hexanoic acid

(2S)-6-amino-2-(4-carboxybutylamino)hexanoic acid (PubChem CID 164521049) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is (2S)-6-amino-2-(4-carboxybutylamino)hexanoic acid.

Molecular Properties

Compound Name(2S)-6-amino-2-(4-carboxybutylamino)hexanoic acid
PubChem CID164521049
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name(2S)-6-amino-2-(4-carboxybutylamino)hexanoic acid
SMILESNCCCC[C@H](NCCCCC(=O)O)C(=O)O
InChIInChI=1S/C11H22N2O4/c12-7-3-1-5-9(11(16)17)13-8-4-2-6-10(14)15/h9,13H,1-8,12H2,(H,14,15)(H,16,17)/t9-/m0/s1
InChIKeySLTMVYRGULXYIG-VIFPVBQESA-N
XLogP0.41
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-6-amino-2-(4-carboxybutylamino)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

2-(6-aminohexylamino)decanedioic acid
CID 140815288
5-amino-2-(6-aminohexylamino)pentanoic acid;trihydrochloride
CID 174056033
(2S)-2-(15-carboxypentadecylamino)pentanedioic acid
CID 90970159
(2S)-2-(6-carboxyhexylamino)decanoic acid
CID 124673847
6-amino-2-(hexylamino)hexanoic acid
CID 87424914
6-amino-2-(pentylamino)hexanoic acid;azane
CID 174768521
(2S)-6-amino-2-(octylamino)hexanoic acid
CID 88516426
(2S)-5-amino-2-(4-aminobutylamino)-5-oxopentanoic acid
CID 6453601
6-amino-2-(carboxymethylamino)hexanoic acid
CID 11680034
5-amino-2-(15-aminopentadecylamino)-5-oxopentanoic acid
CID 174209954
(2S)-6-amino-2-(3,3-dihydroxypropylamino)hexanoic acid
CID 87855201
18-[[(1S)-5-amino-1-carboxypentyl]amino]-18-oxooctadecanoic acid
CID 177296826

Frequently Asked Questions

What is the IUPAC name of (2S)-6-amino-2-(4-carboxybutylamino)hexanoic acid?
The IUPAC name of (2S)-6-amino-2-(4-carboxybutylamino)hexanoic acid (CID 164521049) is (2S)-6-amino-2-(4-carboxybutylamino)hexanoic acid.
What is the SMILES notation for (2S)-6-amino-2-(4-carboxybutylamino)hexanoic acid?
The canonical SMILES for (2S)-6-amino-2-(4-carboxybutylamino)hexanoic acid is NCCCC[C@H](NCCCCC(=O)O)C(=O)O.
What is the InChIKey of (2S)-6-amino-2-(4-carboxybutylamino)hexanoic acid?
The InChIKey is SLTMVYRGULXYIG-VIFPVBQESA-N. The full InChI is InChI=1S/C11H22N2O4/c12-7-3-1-5-9(11(16)17)13-8-4-2-6-10(14)15/h9,13H,1-8,12H2,(H,14,15)(H,16,17)/t9-/m0/s1.
What are the key properties of (2S)-6-amino-2-(4-carboxybutylamino)hexanoic acid?
(2S)-6-amino-2-(4-carboxybutylamino)hexanoic acid has a molecular weight of 246.31 g/mol, XLogP of 0.41, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-amino-2-(4-carboxybutylamino)hexanoic acid is sourced from PubChem (CID 164521049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).