(2R)-2-(2-hydroxysulfanylethylamino)-3-sulfanylpropanoic acid

C5H11NO3S2 — CID 90146033

IUPAC(2R)-2-(2-hydroxysulfanylethylamino)-3-sulfanylpropanoic acid
SMILESO=C(O)[C@H](CS)NCCSO
InChIInChI=1S/C5H11NO3S2/c7-5(8)4(3-10)6-1-2-11-9/h4,6,9-10H,1-3H2,(H,7,8)/t4-/m0/s1
InChIKeyLBELLKOZABODGO-BYPYZUCNSA-N
MW197.28 g/mol
LogP0.17
Rot. Bonds6

About (2R)-2-(2-hydroxysulfanylethylamino)-3-sulfanylpropanoic acid

(2R)-2-(2-hydroxysulfanylethylamino)-3-sulfanylpropanoic acid (PubChem CID 90146033) has the molecular formula C5H11NO3S2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (2R)-2-(2-hydroxysulfanylethylamino)-3-sulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-(2-hydroxysulfanylethylamino)-3-sulfanylpropanoic acid
PubChem CID90146033
Molecular FormulaC5H11NO3S2
Molecular Weight197.28 g/mol
Exact Mass197.02
IUPAC Name(2R)-2-(2-hydroxysulfanylethylamino)-3-sulfanylpropanoic acid
SMILESO=C(O)[C@H](CS)NCCSO
InChIInChI=1S/C5H11NO3S2/c7-5(8)4(3-10)6-1-2-11-9/h4,6,9-10H,1-3H2,(H,7,8)/t4-/m0/s1
InChIKeyLBELLKOZABODGO-BYPYZUCNSA-N
XLogP0.17
TPSA69.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(2-boronoethylamino)-3-sulfanylpropanoic acid
CID 22726445
3-sulfanyl-2-(2-sulfoethylamino)propanoic acid
CID 155167279
2-[[(1-carboxy-2-sulfanylethyl)amino]methyl]propanedioic acid
CID 87237898
(2R)-2-[2-(diaminomethylideneamino)ethylamino]-3-sulfanylpropanoic acid
CID 87452951
(2R)-2-(3-methylbut-3-enylamino)-3-sulfanylpropanoic acid
CID 141061512
(2S)-2-(nonylamino)-3-sulfanylpropanoic acid
CID 135373067
2-(phosphonomethylamino)-3-sulfanylpropanoic acid;sulfuric acid
CID 87618119
(2S)-2-(2-methylpropylamino)-3-sulfanylpropanoic acid;hydrochloride
CID 87312397
(2S)-2-(prop-2-enylamino)-3-sulfanylpropanoic acid
CID 87666603
(2R)-2-(silylamino)-3-sulfanylpropanoic acid
CID 175735722
(2R)-2-(iodoamino)-3-sulfanylpropanoic acid
CID 142742192
2-(2-aminopropylamino)-3-sulfanylpropanoic acid
CID 23341045

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-hydroxysulfanylethylamino)-3-sulfanylpropanoic acid?
The IUPAC name of (2R)-2-(2-hydroxysulfanylethylamino)-3-sulfanylpropanoic acid (CID 90146033) is (2R)-2-(2-hydroxysulfanylethylamino)-3-sulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-(2-hydroxysulfanylethylamino)-3-sulfanylpropanoic acid?
The canonical SMILES for (2R)-2-(2-hydroxysulfanylethylamino)-3-sulfanylpropanoic acid is O=C(O)[C@H](CS)NCCSO.
What is the InChIKey of (2R)-2-(2-hydroxysulfanylethylamino)-3-sulfanylpropanoic acid?
The InChIKey is LBELLKOZABODGO-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H11NO3S2/c7-5(8)4(3-10)6-1-2-11-9/h4,6,9-10H,1-3H2,(H,7,8)/t4-/m0/s1.
What are the key properties of (2R)-2-(2-hydroxysulfanylethylamino)-3-sulfanylpropanoic acid?
(2R)-2-(2-hydroxysulfanylethylamino)-3-sulfanylpropanoic acid has a molecular weight of 197.28 g/mol, XLogP of 0.17, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-hydroxysulfanylethylamino)-3-sulfanylpropanoic acid is sourced from PubChem (CID 90146033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).