(2R)-3-hydroxy-2-methyl-2-[[5-(methylamino)naphthalen-2-yl]sulfonylamino]propanoic acid

C15H18N2O5S — CID 139212146

IUPAC(2R)-3-hydroxy-2-methyl-2-[[5-(methylamino)naphthalen-2-yl]sulfonylamino]propanoic acid
SMILESCNc1cccc2cc(S(=O)(=O)N[C@](C)(CO)C(=O)O)ccc12
InChIInChI=1S/C15H18N2O5S/c1-15(9-18,14(19)20)17-23(21,22)11-6-7-12-10(8-11)4-3-5-13(12)16-2/h3-8,16-18H,9H2,1-2H3,(H,19,20)/t15-/m1/s1
InChIKeyOBBHHJROZIRWMA-OAHLLOKOSA-N
MW338.39 g/mol
LogP1.00
Rot. Bonds6

About (2R)-3-hydroxy-2-methyl-2-[[5-(methylamino)naphthalen-2-yl]sulfonylamino]propanoic acid

(2R)-3-hydroxy-2-methyl-2-[[5-(methylamino)naphthalen-2-yl]sulfonylamino]propanoic acid (PubChem CID 139212146) has the molecular formula C15H18N2O5S and a molecular weight of 338.39 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-methyl-2-[[5-(methylamino)naphthalen-2-yl]sulfonylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-methyl-2-[[5-(methylamino)naphthalen-2-yl]sulfonylamino]propanoic acid
PubChem CID139212146
Molecular FormulaC15H18N2O5S
Molecular Weight338.39 g/mol
Exact Mass338.09
IUPAC Name(2R)-3-hydroxy-2-methyl-2-[[5-(methylamino)naphthalen-2-yl]sulfonylamino]propanoic acid
SMILESCNc1cccc2cc(S(=O)(=O)N[C@](C)(CO)C(=O)O)ccc12
InChIInChI=1S/C15H18N2O5S/c1-15(9-18,14(19)20)17-23(21,22)11-6-7-12-10(8-11)4-3-5-13(12)16-2/h3-8,16-18H,9H2,1-2H3,(H,19,20)/t15-/m1/s1
InChIKeyOBBHHJROZIRWMA-OAHLLOKOSA-N
XLogP1.00
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 51.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2-methyl-2-[[5-(methylamino)naphthalen-2-yl]sulfonylamino]propanoic acid?
The IUPAC name of (2R)-3-hydroxy-2-methyl-2-[[5-(methylamino)naphthalen-2-yl]sulfonylamino]propanoic acid (CID 139212146) is (2R)-3-hydroxy-2-methyl-2-[[5-(methylamino)naphthalen-2-yl]sulfonylamino]propanoic acid.
What is the SMILES notation for (2R)-3-hydroxy-2-methyl-2-[[5-(methylamino)naphthalen-2-yl]sulfonylamino]propanoic acid?
The canonical SMILES for (2R)-3-hydroxy-2-methyl-2-[[5-(methylamino)naphthalen-2-yl]sulfonylamino]propanoic acid is CNc1cccc2cc(S(=O)(=O)N[C@](C)(CO)C(=O)O)ccc12.
What is the InChIKey of (2R)-3-hydroxy-2-methyl-2-[[5-(methylamino)naphthalen-2-yl]sulfonylamino]propanoic acid?
The InChIKey is OBBHHJROZIRWMA-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H18N2O5S/c1-15(9-18,14(19)20)17-23(21,22)11-6-7-12-10(8-11)4-3-5-13(12)16-2/h3-8,16-18H,9H2,1-2H3,(H,19,20)/t15-/m1/s1.
What are the key properties of (2R)-3-hydroxy-2-methyl-2-[[5-(methylamino)naphthalen-2-yl]sulfonylamino]propanoic acid?
(2R)-3-hydroxy-2-methyl-2-[[5-(methylamino)naphthalen-2-yl]sulfonylamino]propanoic acid has a molecular weight of 338.39 g/mol, XLogP of 1.00, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-2-methyl-2-[[5-(methylamino)naphthalen-2-yl]sulfonylamino]propanoic acid is sourced from PubChem (CID 139212146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).