(2R)-3-hydroxy-2-[(3-methoxyphenyl)sulfonylamino]propanoic acid

C10H13NO6S — CID 69117008

IUPAC(2R)-3-hydroxy-2-[(3-methoxyphenyl)sulfonylamino]propanoic acid
SMILESCOc1cccc(S(=O)(=O)N[C@H](CO)C(=O)O)c1
InChIInChI=1S/C10H13NO6S/c1-17-7-3-2-4-8(5-7)18(15,16)11-9(6-12)10(13)14/h2-5,9,11-12H,6H2,1H3,(H,13,14)/t9-/m1/s1
InChIKeyYGRDISGVJWXWAX-SECBINFHSA-N
MW275.28 g/mol
LogP-0.58
Rot. Bonds6

About (2R)-3-hydroxy-2-[(3-methoxyphenyl)sulfonylamino]propanoic acid

(2R)-3-hydroxy-2-[(3-methoxyphenyl)sulfonylamino]propanoic acid (PubChem CID 69117008) has the molecular formula C10H13NO6S and a molecular weight of 275.28 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-[(3-methoxyphenyl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-[(3-methoxyphenyl)sulfonylamino]propanoic acid
PubChem CID69117008
Molecular FormulaC10H13NO6S
Molecular Weight275.28 g/mol
Exact Mass275.05
IUPAC Name(2R)-3-hydroxy-2-[(3-methoxyphenyl)sulfonylamino]propanoic acid
SMILESCOc1cccc(S(=O)(=O)N[C@H](CO)C(=O)O)c1
InChIInChI=1S/C10H13NO6S/c1-17-7-3-2-4-8(5-7)18(15,16)11-9(6-12)10(13)14/h2-5,9,11-12H,6H2,1H3,(H,13,14)/t9-/m1/s1
InChIKeyYGRDISGVJWXWAX-SECBINFHSA-N
XLogP-0.58
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-5-amino-2-[(3-methoxyphenyl)sulfonylamino]-5-oxopentanoic acid
CID 81264713
N-(2-hydroxy-1-phenylethyl)-3-methoxybenzenesulfonamide
CID 81265322
N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzenesulfonamide
CID 107863541
2-[(3-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 4075518
3-methoxy-N-[4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]benzenesulfonamide
CID 24765548
2-cyclopropyl-2-[(3-methoxyphenyl)sulfonylamino]acetic acid
CID 81258396
methyl 2-[(3-methoxyphenyl)sulfonylamino]propanoate
CID 81260226
(2R)-2-[(3-ethoxyphenyl)sulfonylamino]-3-hydroxy-N-methylpropanamide
CID 124742237
2-hydroxy-4-[(3-methoxyphenyl)sulfonylamino]butanoic acid
CID 107835264
3-hydroxy-2-[(4-methoxy-3-nitrophenyl)sulfonylamino]propanoic acid
CID 43081378
N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide
CID 81258228
2-[(3-chlorophenyl)sulfonylamino]-3-methoxypropanoic acid
CID 81076518

Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2-[(3-methoxyphenyl)sulfonylamino]propanoic acid?
The IUPAC name of (2R)-3-hydroxy-2-[(3-methoxyphenyl)sulfonylamino]propanoic acid (CID 69117008) is (2R)-3-hydroxy-2-[(3-methoxyphenyl)sulfonylamino]propanoic acid.
What is the SMILES notation for (2R)-3-hydroxy-2-[(3-methoxyphenyl)sulfonylamino]propanoic acid?
The canonical SMILES for (2R)-3-hydroxy-2-[(3-methoxyphenyl)sulfonylamino]propanoic acid is COc1cccc(S(=O)(=O)N[C@H](CO)C(=O)O)c1.
What is the InChIKey of (2R)-3-hydroxy-2-[(3-methoxyphenyl)sulfonylamino]propanoic acid?
The InChIKey is YGRDISGVJWXWAX-SECBINFHSA-N. The full InChI is InChI=1S/C10H13NO6S/c1-17-7-3-2-4-8(5-7)18(15,16)11-9(6-12)10(13)14/h2-5,9,11-12H,6H2,1H3,(H,13,14)/t9-/m1/s1.
What are the key properties of (2R)-3-hydroxy-2-[(3-methoxyphenyl)sulfonylamino]propanoic acid?
(2R)-3-hydroxy-2-[(3-methoxyphenyl)sulfonylamino]propanoic acid has a molecular weight of 275.28 g/mol, XLogP of -0.58, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-2-[(3-methoxyphenyl)sulfonylamino]propanoic acid is sourced from PubChem (CID 69117008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).