(2R)-3-hydroxy-2-[(2-methoxy-5-nitrophenyl)sulfonylamino]propanoic acid

C10H12N2O8S — CID 28544839

IUPAC(2R)-3-hydroxy-2-[(2-methoxy-5-nitrophenyl)sulfonylamino]propanoic acid
SMILESCOc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C10H12N2O8S/c1-20-8-3-2-6(12(16)17)4-9(8)21(18,19)11-7(5-13)10(14)15/h2-4,7,11,13H,5H2,1H3,(H,14,15)/t7-/m1/s1
InChIKeyGCPAWSNRHMPWKG-SSDOTTSWSA-N
MW320.28 g/mol
LogP-0.67
Rot. Bonds7

About (2R)-3-hydroxy-2-[(2-methoxy-5-nitrophenyl)sulfonylamino]propanoic acid

(2R)-3-hydroxy-2-[(2-methoxy-5-nitrophenyl)sulfonylamino]propanoic acid (PubChem CID 28544839) has the molecular formula C10H12N2O8S and a molecular weight of 320.28 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-[(2-methoxy-5-nitrophenyl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-[(2-methoxy-5-nitrophenyl)sulfonylamino]propanoic acid
PubChem CID28544839
Molecular FormulaC10H12N2O8S
Molecular Weight320.28 g/mol
Exact Mass320.03
IUPAC Name(2R)-3-hydroxy-2-[(2-methoxy-5-nitrophenyl)sulfonylamino]propanoic acid
SMILESCOc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C10H12N2O8S/c1-20-8-3-2-6(12(16)17)4-9(8)21(18,19)11-7(5-13)10(14)15/h2-4,7,11,13H,5H2,1H3,(H,14,15)/t7-/m1/s1
InChIKeyGCPAWSNRHMPWKG-SSDOTTSWSA-N
XLogP-0.67
TPSA156.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.28
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-3-hydroxy-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanoic acid
CID 80751486
3-hydroxy-2-[(4-methoxy-3-nitrophenyl)sulfonylamino]propanoic acid
CID 43081378
(2R)-2-[(2-fluoro-4-nitrophenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 80751484
(2R)-3-hydroxy-2-[(2-methoxy-5-nitrobenzoyl)amino]propanoic acid
CID 80751071
(2S)-2-[(2-methoxy-4-nitrophenyl)sulfonylamino]propanoic acid
CID 61132115
3-hydroxy-2-[(4-nitrophenyl)sulfonylamino]propanoic acid
CID 16782521
3-hydroxy-2-[(2-methoxy-5-nitrophenyl)carbamoylamino]propanoic acid
CID 61195522
2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 43245212
N-but-3-yn-2-yl-2-methoxy-5-nitrobenzenesulfonamide
CID 114419146
(2R)-2-[(2-fluoro-5-nitrophenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 107824112
2-methoxy-5-nitro-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide
CID 55434492
N-(4-hydroxy-3-methylbutan-2-yl)-2-methoxy-4-nitrobenzenesulfonamide
CID 115754770

Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2-[(2-methoxy-5-nitrophenyl)sulfonylamino]propanoic acid?
The IUPAC name of (2R)-3-hydroxy-2-[(2-methoxy-5-nitrophenyl)sulfonylamino]propanoic acid (CID 28544839) is (2R)-3-hydroxy-2-[(2-methoxy-5-nitrophenyl)sulfonylamino]propanoic acid.
What is the SMILES notation for (2R)-3-hydroxy-2-[(2-methoxy-5-nitrophenyl)sulfonylamino]propanoic acid?
The canonical SMILES for (2R)-3-hydroxy-2-[(2-methoxy-5-nitrophenyl)sulfonylamino]propanoic acid is COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-3-hydroxy-2-[(2-methoxy-5-nitrophenyl)sulfonylamino]propanoic acid?
The InChIKey is GCPAWSNRHMPWKG-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H12N2O8S/c1-20-8-3-2-6(12(16)17)4-9(8)21(18,19)11-7(5-13)10(14)15/h2-4,7,11,13H,5H2,1H3,(H,14,15)/t7-/m1/s1.
What are the key properties of (2R)-3-hydroxy-2-[(2-methoxy-5-nitrophenyl)sulfonylamino]propanoic acid?
(2R)-3-hydroxy-2-[(2-methoxy-5-nitrophenyl)sulfonylamino]propanoic acid has a molecular weight of 320.28 g/mol, XLogP of -0.67, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-2-[(2-methoxy-5-nitrophenyl)sulfonylamino]propanoic acid is sourced from PubChem (CID 28544839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).