(2R)-2-[(4-methoxyphenyl)sulfonylamino]propanoic acid

C10H13NO5S — CID 705712

IUPAC(2R)-2-[(4-methoxyphenyl)sulfonylamino]propanoic acid
SMILESCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)O)cc1
InChIInChI=1S/C10H13NO5S/c1-7(10(12)13)11-17(14,15)9-5-3-8(16-2)4-6-9/h3-7,11H,1-2H3,(H,12,13)/t7-/m1/s1
InChIKeyXTCIPBHRVYICGT-SSDOTTSWSA-N
MW259.28 g/mol
LogP0.45
Rot. Bonds5

About (2R)-2-[(4-methoxyphenyl)sulfonylamino]propanoic acid

(2R)-2-[(4-methoxyphenyl)sulfonylamino]propanoic acid (PubChem CID 705712) has the molecular formula C10H13NO5S and a molecular weight of 259.28 g/mol. Its IUPAC name is (2R)-2-[(4-methoxyphenyl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4-methoxyphenyl)sulfonylamino]propanoic acid
PubChem CID705712
Molecular FormulaC10H13NO5S
Molecular Weight259.28 g/mol
Exact Mass259.05
IUPAC Name(2R)-2-[(4-methoxyphenyl)sulfonylamino]propanoic acid
SMILESCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)O)cc1
InChIInChI=1S/C10H13NO5S/c1-7(10(12)13)11-17(14,15)9-5-3-8(16-2)4-6-9/h3-7,11H,1-2H3,(H,12,13)/t7-/m1/s1
InChIKeyXTCIPBHRVYICGT-SSDOTTSWSA-N
XLogP0.45
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-methoxyphenyl)sulfonylamino]propanoic acid?
The IUPAC name of (2R)-2-[(4-methoxyphenyl)sulfonylamino]propanoic acid (CID 705712) is (2R)-2-[(4-methoxyphenyl)sulfonylamino]propanoic acid.
What is the SMILES notation for (2R)-2-[(4-methoxyphenyl)sulfonylamino]propanoic acid?
The canonical SMILES for (2R)-2-[(4-methoxyphenyl)sulfonylamino]propanoic acid is COc1ccc(S(=O)(=O)N[C@H](C)C(=O)O)cc1.
What is the InChIKey of (2R)-2-[(4-methoxyphenyl)sulfonylamino]propanoic acid?
The InChIKey is XTCIPBHRVYICGT-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13NO5S/c1-7(10(12)13)11-17(14,15)9-5-3-8(16-2)4-6-9/h3-7,11H,1-2H3,(H,12,13)/t7-/m1/s1.
What are the key properties of (2R)-2-[(4-methoxyphenyl)sulfonylamino]propanoic acid?
(2R)-2-[(4-methoxyphenyl)sulfonylamino]propanoic acid has a molecular weight of 259.28 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-methoxyphenyl)sulfonylamino]propanoic acid is sourced from PubChem (CID 705712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).