(2S)-2,6-diaminohexanoic acid;1,3-thiazolidine-4-carboxylic acid

C10H21N3O4S — CID 71587189

IUPAC(2S)-2,6-diaminohexanoic acid;1,3-thiazolidine-4-carboxylic acid
SMILESNCCCC[C@H](N)C(=O)O.O=C(O)C1CSCN1
InChIInChI=1S/C6H14N2O2.C4H7NO2S/c7-4-2-1-3-5(8)6(9)10;6-4(7)3-1-8-2-5-3/h5H,1-4,7-8H2,(H,9,10);3,5H,1-2H2,(H,6,7)/t5-;/m0./s1
InChIKeyQWFJCFXFOAIKGS-JEDNCBNOSA-N
MW279.36 g/mol
LogP-0.74
Rot. Bonds6

About (2S)-2,6-diaminohexanoic acid;1,3-thiazolidine-4-carboxylic acid

(2S)-2,6-diaminohexanoic acid;1,3-thiazolidine-4-carboxylic acid (PubChem CID 71587189) has the molecular formula C10H21N3O4S and a molecular weight of 279.36 g/mol. Its IUPAC name is (2S)-2,6-diaminohexanoic acid;1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(2S)-2,6-diaminohexanoic acid;1,3-thiazolidine-4-carboxylic acid
PubChem CID71587189
Molecular FormulaC10H21N3O4S
Molecular Weight279.36 g/mol
Exact Mass279.13
IUPAC Name(2S)-2,6-diaminohexanoic acid;1,3-thiazolidine-4-carboxylic acid
SMILESNCCCC[C@H](N)C(=O)O.O=C(O)C1CSCN1
InChIInChI=1S/C6H14N2O2.C4H7NO2S/c7-4-2-1-3-5(8)6(9)10;6-4(7)3-1-8-2-5-3/h5H,1-4,7-8H2,(H,9,10);3,5H,1-2H2,(H,6,7)/t5-;/m0./s1
InChIKeyQWFJCFXFOAIKGS-JEDNCBNOSA-N
XLogP-0.74
TPSA138.67 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 5-0.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2,6-diaminohexanoic acid;1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (2S)-2,6-diaminohexanoic acid;1,3-thiazolidine-4-carboxylic acid (CID 71587189) is (2S)-2,6-diaminohexanoic acid;1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (2S)-2,6-diaminohexanoic acid;1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (2S)-2,6-diaminohexanoic acid;1,3-thiazolidine-4-carboxylic acid is NCCCC[C@H](N)C(=O)O.O=C(O)C1CSCN1.
What is the InChIKey of (2S)-2,6-diaminohexanoic acid;1,3-thiazolidine-4-carboxylic acid?
The InChIKey is QWFJCFXFOAIKGS-JEDNCBNOSA-N. The full InChI is InChI=1S/C6H14N2O2.C4H7NO2S/c7-4-2-1-3-5(8)6(9)10;6-4(7)3-1-8-2-5-3/h5H,1-4,7-8H2,(H,9,10);3,5H,1-2H2,(H,6,7)/t5-;/m0./s1.
What are the key properties of (2S)-2,6-diaminohexanoic acid;1,3-thiazolidine-4-carboxylic acid?
(2S)-2,6-diaminohexanoic acid;1,3-thiazolidine-4-carboxylic acid has a molecular weight of 279.36 g/mol, XLogP of -0.74, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,6-diaminohexanoic acid;1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 71587189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).