(2S)-2,6-diaminohexanoic acid;gold

C6H14AuN2O2 — CID 174858889

IUPAC(2S)-2,6-diaminohexanoic acid;gold
SMILESNCCCC[C@H](N)C(=O)O.[Au]
InChIInChI=1S/C6H14N2O2.Au/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);/t5-;/m0./s1
InChIKeyTUILYLHFEWLOBC-JEDNCBNOSA-N
MW343.16 g/mol
LogP-0.48
Rot. Bonds5

About (2S)-2,6-diaminohexanoic acid;gold

(2S)-2,6-diaminohexanoic acid;gold (PubChem CID 174858889) has the molecular formula C6H14AuN2O2 and a molecular weight of 343.16 g/mol. Its IUPAC name is (2S)-2,6-diaminohexanoic acid;gold.

Molecular Properties

Compound Name(2S)-2,6-diaminohexanoic acid;gold
PubChem CID174858889
Molecular FormulaC6H14AuN2O2
Molecular Weight343.16 g/mol
Exact Mass343.07
IUPAC Name(2S)-2,6-diaminohexanoic acid;gold
SMILESNCCCC[C@H](N)C(=O)O.[Au]
InChIInChI=1S/C6H14N2O2.Au/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);/t5-;/m0./s1
InChIKeyTUILYLHFEWLOBC-JEDNCBNOSA-N
XLogP-0.48
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.16
LogP ≤ 5-0.48
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

2,6-diamino(1,2,3,4,5,6-13C6)hexanoic acid
CID 155890004
2,13-diaminotridecanoic acid
CID 141414897
2,6-diaminohexanoic acid;titanium
CID 174642581
2,6-diaminohexanoic acid;2,5-diaminopentanoic acid
CID 18793360
tris((2S)-2,6-diaminohexanoic acid);iron
CID 153408479
CID 158432126
CID 158432126
tetrakis(2,6-diaminohexanoic acid);dihydrochloride
CID 174145709
(2S)-2,6-diamino(213C)hexanoic acid;hydrochloride
CID 71309084
sodium 2,6-diaminohexanoic acid
CID 18320454
(2S)-2,6-diaminohexanoic acid;pentane-1,5-diamine
CID 87328180
(2S)-2,6-bis(15N)(azanyl)hexanoic acid;dihydrochloride
CID 163409206
2-amino-6-(15N)azanylhexanoic acid;dihydrochloride
CID 45157533

Frequently Asked Questions

What is the IUPAC name of (2S)-2,6-diaminohexanoic acid;gold?
The IUPAC name of (2S)-2,6-diaminohexanoic acid;gold (CID 174858889) is (2S)-2,6-diaminohexanoic acid;gold.
What is the SMILES notation for (2S)-2,6-diaminohexanoic acid;gold?
The canonical SMILES for (2S)-2,6-diaminohexanoic acid;gold is NCCCC[C@H](N)C(=O)O.[Au].
What is the InChIKey of (2S)-2,6-diaminohexanoic acid;gold?
The InChIKey is TUILYLHFEWLOBC-JEDNCBNOSA-N. The full InChI is InChI=1S/C6H14N2O2.Au/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);/t5-;/m0./s1.
What are the key properties of (2S)-2,6-diaminohexanoic acid;gold?
(2S)-2,6-diaminohexanoic acid;gold has a molecular weight of 343.16 g/mol, XLogP of -0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,6-diaminohexanoic acid;gold is sourced from PubChem (CID 174858889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).