(2R)-2-[(2-hydroxybenzoyl)amino]-3-sulfanylpropanoic acid

C10H11NO4S — CID 10037345

IUPAC(2R)-2-[(2-hydroxybenzoyl)amino]-3-sulfanylpropanoic acid
SMILESO=C(N[C@@H](CS)C(=O)O)c1ccccc1O
InChIInChI=1S/C10H11NO4S/c12-8-4-2-1-3-6(8)9(13)11-7(5-16)10(14)15/h1-4,7,12,16H,5H2,(H,11,13)(H,14,15)/t7-/m0/s1
InChIKeyBYLCIVKSBQQAPK-ZETCQYMHSA-N
MW241.27 g/mol
LogP0.50
Rot. Bonds4

About (2R)-2-[(2-hydroxybenzoyl)amino]-3-sulfanylpropanoic acid

(2R)-2-[(2-hydroxybenzoyl)amino]-3-sulfanylpropanoic acid (PubChem CID 10037345) has the molecular formula C10H11NO4S and a molecular weight of 241.27 g/mol. Its IUPAC name is (2R)-2-[(2-hydroxybenzoyl)amino]-3-sulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-hydroxybenzoyl)amino]-3-sulfanylpropanoic acid
PubChem CID10037345
Molecular FormulaC10H11NO4S
Molecular Weight241.27 g/mol
Exact Mass241.04
IUPAC Name(2R)-2-[(2-hydroxybenzoyl)amino]-3-sulfanylpropanoic acid
SMILESO=C(N[C@@H](CS)C(=O)O)c1ccccc1O
InChIInChI=1S/C10H11NO4S/c12-8-4-2-1-3-6(8)9(13)11-7(5-16)10(14)15/h1-4,7,12,16H,5H2,(H,11,13)(H,14,15)/t7-/m0/s1
InChIKeyBYLCIVKSBQQAPK-ZETCQYMHSA-N
XLogP0.50
TPSA86.63 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 50.50
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-hydroxybenzoyl)amino]-3-sulfanylpropanoic acid?
The IUPAC name of (2R)-2-[(2-hydroxybenzoyl)amino]-3-sulfanylpropanoic acid (CID 10037345) is (2R)-2-[(2-hydroxybenzoyl)amino]-3-sulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-[(2-hydroxybenzoyl)amino]-3-sulfanylpropanoic acid?
The canonical SMILES for (2R)-2-[(2-hydroxybenzoyl)amino]-3-sulfanylpropanoic acid is O=C(N[C@@H](CS)C(=O)O)c1ccccc1O.
What is the InChIKey of (2R)-2-[(2-hydroxybenzoyl)amino]-3-sulfanylpropanoic acid?
The InChIKey is BYLCIVKSBQQAPK-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H11NO4S/c12-8-4-2-1-3-6(8)9(13)11-7(5-16)10(14)15/h1-4,7,12,16H,5H2,(H,11,13)(H,14,15)/t7-/m0/s1.
What are the key properties of (2R)-2-[(2-hydroxybenzoyl)amino]-3-sulfanylpropanoic acid?
(2R)-2-[(2-hydroxybenzoyl)amino]-3-sulfanylpropanoic acid has a molecular weight of 241.27 g/mol, XLogP of 0.50, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-hydroxybenzoyl)amino]-3-sulfanylpropanoic acid is sourced from PubChem (CID 10037345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).