(2R)-2-amino-3-(2-aminoethylsulfanyl)-2-methylpropanoic acid;hydrochloride

C6H15ClN2O2S — CID 86584393

IUPAC(2R)-2-amino-3-(2-aminoethylsulfanyl)-2-methylpropanoic acid;hydrochloride
SMILESC[C@](N)(CSCCN)C(=O)O.Cl
InChIInChI=1S/C6H14N2O2S.ClH/c1-6(8,5(9)10)4-11-3-2-7;/h2-4,7-8H2,1H3,(H,9,10);1H/t6-;/m0./s1
InChIKeyNSFLODLMZDPDBA-RGMNGODLSA-N
MW214.72 g/mol
LogP-0.10
Rot. Bonds5

About (2R)-2-amino-3-(2-aminoethylsulfanyl)-2-methylpropanoic acid;hydrochloride

(2R)-2-amino-3-(2-aminoethylsulfanyl)-2-methylpropanoic acid;hydrochloride (PubChem CID 86584393) has the molecular formula C6H15ClN2O2S and a molecular weight of 214.72 g/mol. Its IUPAC name is (2R)-2-amino-3-(2-aminoethylsulfanyl)-2-methylpropanoic acid;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-3-(2-aminoethylsulfanyl)-2-methylpropanoic acid;hydrochloride
PubChem CID86584393
Molecular FormulaC6H15ClN2O2S
Molecular Weight214.72 g/mol
Exact Mass214.05
IUPAC Name(2R)-2-amino-3-(2-aminoethylsulfanyl)-2-methylpropanoic acid;hydrochloride
SMILESC[C@](N)(CSCCN)C(=O)O.Cl
InChIInChI=1S/C6H14N2O2S.ClH/c1-6(8,5(9)10)4-11-3-2-7;/h2-4,7-8H2,1H3,(H,9,10);1H/t6-;/m0./s1
InChIKeyNSFLODLMZDPDBA-RGMNGODLSA-N
XLogP-0.10
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.72
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 (2R)-2-amino-3-(2-aminoethylsulfanyl)-2-methylpropanoic acid;hydrochloride?
The IUPAC name of (2R)-2-amino-3-(2-aminoethylsulfanyl)-2-methylpropanoic acid;hydrochloride (CID 86584393) is (2R)-2-amino-3-(2-aminoethylsulfanyl)-2-methylpropanoic acid;hydrochloride.
What is the SMILES notation for (2R)-2-amino-3-(2-aminoethylsulfanyl)-2-methylpropanoic acid;hydrochloride?
The canonical SMILES for (2R)-2-amino-3-(2-aminoethylsulfanyl)-2-methylpropanoic acid;hydrochloride is C[C@](N)(CSCCN)C(=O)O.Cl.
What is the InChIKey of (2R)-2-amino-3-(2-aminoethylsulfanyl)-2-methylpropanoic acid;hydrochloride?
The InChIKey is NSFLODLMZDPDBA-RGMNGODLSA-N. The full InChI is InChI=1S/C6H14N2O2S.ClH/c1-6(8,5(9)10)4-11-3-2-7;/h2-4,7-8H2,1H3,(H,9,10);1H/t6-;/m0./s1.
What are the key properties of (2R)-2-amino-3-(2-aminoethylsulfanyl)-2-methylpropanoic acid;hydrochloride?
(2R)-2-amino-3-(2-aminoethylsulfanyl)-2-methylpropanoic acid;hydrochloride has a molecular weight of 214.72 g/mol, XLogP of -0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(2-aminoethylsulfanyl)-2-methylpropanoic acid;hydrochloride is sourced from PubChem (CID 86584393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).