(2R)-3-hydroxy-2-(1-sulfanylethylamino)propanoic acid

C5H11NO3S — CID 155353279

IUPAC(2R)-3-hydroxy-2-(1-sulfanylethylamino)propanoic acid
SMILESCC(S)N[C@H](CO)C(=O)O
InChIInChI=1S/C5H11NO3S/c1-3(10)6-4(2-7)5(8)9/h3-4,6-7,10H,2H2,1H3,(H,8,9)/t3?,4-/m1/s1
InChIKeyKWNNPBSQUOQTEU-SRBOSORUSA-N
MW165.21 g/mol
LogP-0.70
Rot. Bonds4

About (2R)-3-hydroxy-2-(1-sulfanylethylamino)propanoic acid

(2R)-3-hydroxy-2-(1-sulfanylethylamino)propanoic acid (PubChem CID 155353279) has the molecular formula C5H11NO3S and a molecular weight of 165.21 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-(1-sulfanylethylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-(1-sulfanylethylamino)propanoic acid
PubChem CID155353279
Molecular FormulaC5H11NO3S
Molecular Weight165.21 g/mol
Exact Mass165.05
IUPAC Name(2R)-3-hydroxy-2-(1-sulfanylethylamino)propanoic acid
SMILESCC(S)N[C@H](CO)C(=O)O
InChIInChI=1S/C5H11NO3S/c1-3(10)6-4(2-7)5(8)9/h3-4,6-7,10H,2H2,1H3,(H,8,9)/t3?,4-/m1/s1
InChIKeyKWNNPBSQUOQTEU-SRBOSORUSA-N
XLogP-0.70
TPSA69.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 5-0.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

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CID 90839265
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3-hydroxy-2-(2-methylpropylamino)propanoic acid
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(2R)-3-hydroxy-2-(methoxyamino)propanoic acid
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3-hydroxy-2-(propanoylamino)propanoic acid
CID 11845678
(2S)-2-(2,2-dihydroxyethylamino)-3-hydroxypropanoic acid
CID 141052833
2-acetamido-3-hydroxypropanoic acid;sulfane
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Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2-(1-sulfanylethylamino)propanoic acid?
The IUPAC name of (2R)-3-hydroxy-2-(1-sulfanylethylamino)propanoic acid (CID 155353279) is (2R)-3-hydroxy-2-(1-sulfanylethylamino)propanoic acid.
What is the SMILES notation for (2R)-3-hydroxy-2-(1-sulfanylethylamino)propanoic acid?
The canonical SMILES for (2R)-3-hydroxy-2-(1-sulfanylethylamino)propanoic acid is CC(S)N[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-3-hydroxy-2-(1-sulfanylethylamino)propanoic acid?
The InChIKey is KWNNPBSQUOQTEU-SRBOSORUSA-N. The full InChI is InChI=1S/C5H11NO3S/c1-3(10)6-4(2-7)5(8)9/h3-4,6-7,10H,2H2,1H3,(H,8,9)/t3?,4-/m1/s1.
What are the key properties of (2R)-3-hydroxy-2-(1-sulfanylethylamino)propanoic acid?
(2R)-3-hydroxy-2-(1-sulfanylethylamino)propanoic acid has a molecular weight of 165.21 g/mol, XLogP of -0.70, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-2-(1-sulfanylethylamino)propanoic acid is sourced from PubChem (CID 155353279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).