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

C6H11NO4S — CID 23618203

IUPAC(2R)-2-(2-carboxyethylamino)-3-sulfanylpropanoic acid
SMILESO=C(O)CCN[C@@H](CS)C(=O)O
InChIInChI=1S/C6H11NO4S/c8-5(9)1-2-7-4(3-12)6(10)11/h4,7,12H,1-3H2,(H,8,9)(H,10,11)/t4-/m0/s1
InChIKeyCAMXXPUSAROUCX-BYPYZUCNSA-N
MW193.22 g/mol
LogP-0.57
Rot. Bonds6

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

(2R)-2-(2-carboxyethylamino)-3-sulfanylpropanoic acid (PubChem CID 23618203) has the molecular formula C6H11NO4S and a molecular weight of 193.22 g/mol. Its IUPAC name is (2R)-2-(2-carboxyethylamino)-3-sulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-(2-carboxyethylamino)-3-sulfanylpropanoic acid
PubChem CID23618203
Molecular FormulaC6H11NO4S
Molecular Weight193.22 g/mol
Exact Mass193.04
IUPAC Name(2R)-2-(2-carboxyethylamino)-3-sulfanylpropanoic acid
SMILESO=C(O)CCN[C@@H](CS)C(=O)O
InChIInChI=1S/C6H11NO4S/c8-5(9)1-2-7-4(3-12)6(10)11/h4,7,12H,1-3H2,(H,8,9)(H,10,11)/t4-/m0/s1
InChIKeyCAMXXPUSAROUCX-BYPYZUCNSA-N
XLogP-0.57
TPSA86.63 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 5-0.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-carboxyethylamino)-3-sulfanylpropanoic acid?
The IUPAC name of (2R)-2-(2-carboxyethylamino)-3-sulfanylpropanoic acid (CID 23618203) is (2R)-2-(2-carboxyethylamino)-3-sulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-(2-carboxyethylamino)-3-sulfanylpropanoic acid?
The canonical SMILES for (2R)-2-(2-carboxyethylamino)-3-sulfanylpropanoic acid is O=C(O)CCN[C@@H](CS)C(=O)O.
What is the InChIKey of (2R)-2-(2-carboxyethylamino)-3-sulfanylpropanoic acid?
The InChIKey is CAMXXPUSAROUCX-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H11NO4S/c8-5(9)1-2-7-4(3-12)6(10)11/h4,7,12H,1-3H2,(H,8,9)(H,10,11)/t4-/m0/s1.
What are the key properties of (2R)-2-(2-carboxyethylamino)-3-sulfanylpropanoic acid?
(2R)-2-(2-carboxyethylamino)-3-sulfanylpropanoic acid has a molecular weight of 193.22 g/mol, XLogP of -0.57, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-carboxyethylamino)-3-sulfanylpropanoic acid is sourced from PubChem (CID 23618203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).