amino (2S)-2,6-diaminohexanoate

C6H15N3O2 — CID 18651785

IUPACamino (2S)-2,6-diaminohexanoate
SMILESNCCCC[C@H](N)C(=O)ON
InChIInChI=1S/C6H15N3O2/c7-4-2-1-3-5(8)6(10)11-9/h5H,1-4,7-9H2/t5-/m0/s1
InChIKeyGLKLZLPABBUQND-YFKPBYRVSA-N
MW161.20 g/mol
LogP-1.14
Rot. Bonds5

About amino (2S)-2,6-diaminohexanoate

amino (2S)-2,6-diaminohexanoate (PubChem CID 18651785) has the molecular formula C6H15N3O2 and a molecular weight of 161.20 g/mol. Its IUPAC name is amino (2S)-2,6-diaminohexanoate.

Molecular Properties

Compound Nameamino (2S)-2,6-diaminohexanoate
PubChem CID18651785
Molecular FormulaC6H15N3O2
Molecular Weight161.20 g/mol
Exact Mass161.12
IUPAC Nameamino (2S)-2,6-diaminohexanoate
SMILESNCCCC[C@H](N)C(=O)ON
InChIInChI=1S/C6H15N3O2/c7-4-2-1-3-5(8)6(10)11-9/h5H,1-4,7-9H2/t5-/m0/s1
InChIKeyGLKLZLPABBUQND-YFKPBYRVSA-N
XLogP-1.14
TPSA104.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

disodium;[(2S)-2,6-diaminohexanoyl]oxycarbonyl (2S)-2,6-diaminohexanoate;hydride
CID 174505551
formyl (2S)-2,6-diaminohexanoate
CID 57195999
diaminomethyl (2S)-2,6-diaminohexanoate
CID 87634064
bromomethyl (2S)-2,6-diaminohexanoate
CID 174174403
CID 172722392
CID 172722392
(2-aminoacetyl) 2,8-diaminooctanoate
CID 56999097
acetyl (2S)-2,6-diaminohexanoate;trihydrate
CID 174752678
6-amino-7-aminooxy-7-oxoheptanoic acid
CID 87229165
amino 2-aminododecanoate
CID 174504612
ethyl (2R)-2,6-diaminohexanoate
CID 7018921
12-aminododecyl (2S)-2,6-diaminohexanoate
CID 175019301
(2-iodoacetyl) (2S)-2,6-diaminohexanoate
CID 87584112

Frequently Asked Questions

What is the IUPAC name of amino (2S)-2,6-diaminohexanoate?
The IUPAC name of amino (2S)-2,6-diaminohexanoate (CID 18651785) is amino (2S)-2,6-diaminohexanoate.
What is the SMILES notation for amino (2S)-2,6-diaminohexanoate?
The canonical SMILES for amino (2S)-2,6-diaminohexanoate is NCCCC[C@H](N)C(=O)ON.
What is the InChIKey of amino (2S)-2,6-diaminohexanoate?
The InChIKey is GLKLZLPABBUQND-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H15N3O2/c7-4-2-1-3-5(8)6(10)11-9/h5H,1-4,7-9H2/t5-/m0/s1.
What are the key properties of amino (2S)-2,6-diaminohexanoate?
amino (2S)-2,6-diaminohexanoate has a molecular weight of 161.20 g/mol, XLogP of -1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for amino (2S)-2,6-diaminohexanoate is sourced from PubChem (CID 18651785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).