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

C14H30N2O2 — CID 88516426

IUPAC(2S)-6-amino-2-(octylamino)hexanoic acid
SMILESCCCCCCCCN[C@@H](CCCCN)C(=O)O
InChIInChI=1S/C14H30N2O2/c1-2-3-4-5-6-9-12-16-13(14(17)18)10-7-8-11-15/h13,16H,2-12,15H2,1H3,(H,17,18)/t13-/m0/s1
InChIKeyRIAKVQKZGABSGX-ZDUSSCGKSA-N
MW258.41 g/mol
LogP2.52
Rot. Bonds13

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

(2S)-6-amino-2-(octylamino)hexanoic acid (PubChem CID 88516426) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is (2S)-6-amino-2-(octylamino)hexanoic acid.

Molecular Properties

Compound Name(2S)-6-amino-2-(octylamino)hexanoic acid
PubChem CID88516426
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name(2S)-6-amino-2-(octylamino)hexanoic acid
SMILESCCCCCCCCN[C@@H](CCCCN)C(=O)O
InChIInChI=1S/C14H30N2O2/c1-2-3-4-5-6-9-12-16-13(14(17)18)10-7-8-11-15/h13,16H,2-12,15H2,1H3,(H,17,18)/t13-/m0/s1
InChIKeyRIAKVQKZGABSGX-ZDUSSCGKSA-N
XLogP2.52
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-2-(hexylamino)hexanoic acid
CID 87424914
6-amino-2-(pentylamino)hexanoic acid;azane
CID 174768521
2-(pentylamino)octanoic acid
CID 129188286
2-(dodecylamino)hexanoic acid
CID 139637216
5-amino-2-(6-aminohexylamino)pentanoic acid;trihydrochloride
CID 174056033
2-[2-(1-carboxynonylamino)ethylamino]decanoic acid
CID 86120299
2-(propylamino)tetradecanoic acid
CID 54527307
sodium (2S)-6-amino-2-(octadecylamino)hexanoate
CID 172749951
(2S)-2-(6-carboxyhexylamino)decanoic acid
CID 124673847
2-(6-aminohexylamino)decanedioic acid
CID 140815288
(2S)-6-amino-2-(4-carboxybutylamino)hexanoic acid
CID 164521049
2-(6-methylheptylamino)hexanoic acid
CID 150739984

Frequently Asked Questions

What is the IUPAC name of (2S)-6-amino-2-(octylamino)hexanoic acid?
The IUPAC name of (2S)-6-amino-2-(octylamino)hexanoic acid (CID 88516426) is (2S)-6-amino-2-(octylamino)hexanoic acid.
What is the SMILES notation for (2S)-6-amino-2-(octylamino)hexanoic acid?
The canonical SMILES for (2S)-6-amino-2-(octylamino)hexanoic acid is CCCCCCCCN[C@@H](CCCCN)C(=O)O.
What is the InChIKey of (2S)-6-amino-2-(octylamino)hexanoic acid?
The InChIKey is RIAKVQKZGABSGX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-2-3-4-5-6-9-12-16-13(14(17)18)10-7-8-11-15/h13,16H,2-12,15H2,1H3,(H,17,18)/t13-/m0/s1.
What are the key properties of (2S)-6-amino-2-(octylamino)hexanoic acid?
(2S)-6-amino-2-(octylamino)hexanoic acid has a molecular weight of 258.41 g/mol, XLogP of 2.52, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-amino-2-(octylamino)hexanoic acid is sourced from PubChem (CID 88516426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).