2-hydroxy-3-[(2-methoxycarbonylthiophen-3-yl)sulfonylamino]propanoic acid

C9H11NO7S2 — CID 66166894

IUPAC2-hydroxy-3-[(2-methoxycarbonylthiophen-3-yl)sulfonylamino]propanoic acid
SMILESCOC(=O)c1sccc1S(=O)(=O)NCC(O)C(=O)O
InChIInChI=1S/C9H11NO7S2/c1-17-9(14)7-6(2-3-18-7)19(15,16)10-4-5(11)8(12)13/h2-3,5,10-11H,4H2,1H3,(H,12,13)
InChIKeyHHCSXLXHQVLQKC-UHFFFAOYSA-N
MW309.32 g/mol
LogP-0.74
Rot. Bonds6

About 2-hydroxy-3-[(2-methoxycarbonylthiophen-3-yl)sulfonylamino]propanoic acid

2-hydroxy-3-[(2-methoxycarbonylthiophen-3-yl)sulfonylamino]propanoic acid (PubChem CID 66166894) has the molecular formula C9H11NO7S2 and a molecular weight of 309.32 g/mol. Its IUPAC name is 2-hydroxy-3-[(2-methoxycarbonylthiophen-3-yl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[(2-methoxycarbonylthiophen-3-yl)sulfonylamino]propanoic acid
PubChem CID66166894
Molecular FormulaC9H11NO7S2
Molecular Weight309.32 g/mol
Exact Mass309.00
IUPAC Name2-hydroxy-3-[(2-methoxycarbonylthiophen-3-yl)sulfonylamino]propanoic acid
SMILESCOC(=O)c1sccc1S(=O)(=O)NCC(O)C(=O)O
InChIInChI=1S/C9H11NO7S2/c1-17-9(14)7-6(2-3-18-7)19(15,16)10-4-5(11)8(12)13/h2-3,5,10-11H,4H2,1H3,(H,12,13)
InChIKeyHHCSXLXHQVLQKC-UHFFFAOYSA-N
XLogP-0.74
TPSA130.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-(2-aminoethylsulfamoyl)thiophene-2-carboxylate
CID 43603472
methyl 3-[[(2S)-2-(4-phenylpiperazin-1-yl)propyl]sulfamoyl]thiophene-2-carboxylate
CID 39663609
methyl 3-(3-aminopropylsulfamoyl)thiophene-2-carboxylate
CID 43605768
2-[(2-methoxycarbonylthiophen-3-yl)sulfonylamino]pentanoic acid
CID 43631169
methyl 3-[[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]sulfamoyl]thiophene-2-carboxylate
CID 90625207
methyl 3-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]thiophene-2-carboxylate
CID 18148668
(2S)-2-[(2-methoxycarbonylthiophen-3-yl)sulfonylamino]hexanoic acid
CID 104934657
methyl 3-(3-methylbutan-2-ylsulfamoyl)thiophene-2-carboxylate
CID 78836894
methyl 3-[(2-amino-2-oxoethoxy)sulfamoyl]thiophene-2-carboxylate
CID 112673568
methyl 3-[[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]sulfamoyl]thiophene-2-carboxylate
CID 122162633
(2S)-3-[(2-bromo-4-methoxyphenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 146127658
3-[(2,5-dimethoxyphenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 66165859

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(2-methoxycarbonylthiophen-3-yl)sulfonylamino]propanoic acid?
The IUPAC name of 2-hydroxy-3-[(2-methoxycarbonylthiophen-3-yl)sulfonylamino]propanoic acid (CID 66166894) is 2-hydroxy-3-[(2-methoxycarbonylthiophen-3-yl)sulfonylamino]propanoic acid.
What is the SMILES notation for 2-hydroxy-3-[(2-methoxycarbonylthiophen-3-yl)sulfonylamino]propanoic acid?
The canonical SMILES for 2-hydroxy-3-[(2-methoxycarbonylthiophen-3-yl)sulfonylamino]propanoic acid is COC(=O)c1sccc1S(=O)(=O)NCC(O)C(=O)O.
What is the InChIKey of 2-hydroxy-3-[(2-methoxycarbonylthiophen-3-yl)sulfonylamino]propanoic acid?
The InChIKey is HHCSXLXHQVLQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO7S2/c1-17-9(14)7-6(2-3-18-7)19(15,16)10-4-5(11)8(12)13/h2-3,5,10-11H,4H2,1H3,(H,12,13).
What are the key properties of 2-hydroxy-3-[(2-methoxycarbonylthiophen-3-yl)sulfonylamino]propanoic acid?
2-hydroxy-3-[(2-methoxycarbonylthiophen-3-yl)sulfonylamino]propanoic acid has a molecular weight of 309.32 g/mol, XLogP of -0.74, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(2-methoxycarbonylthiophen-3-yl)sulfonylamino]propanoic acid is sourced from PubChem (CID 66166894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).