(2R)-2-[(3-ethoxy-3-oxopropyl)sulfonylamino]propanoic acid

C8H15NO6S — CID 78972767

IUPAC(2R)-2-[(3-ethoxy-3-oxopropyl)sulfonylamino]propanoic acid
SMILESCCOC(=O)CCS(=O)(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C8H15NO6S/c1-3-15-7(10)4-5-16(13,14)9-6(2)8(11)12/h6,9H,3-5H2,1-2H3,(H,11,12)/t6-/m1/s1
InChIKeyGYAZPMZSXQBKQG-ZCFIWIBFSA-N
MW253.28 g/mol
LogP-0.67
Rot. Bonds7

About (2R)-2-[(3-ethoxy-3-oxopropyl)sulfonylamino]propanoic acid

(2R)-2-[(3-ethoxy-3-oxopropyl)sulfonylamino]propanoic acid (PubChem CID 78972767) has the molecular formula C8H15NO6S and a molecular weight of 253.28 g/mol. Its IUPAC name is (2R)-2-[(3-ethoxy-3-oxopropyl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3-ethoxy-3-oxopropyl)sulfonylamino]propanoic acid
PubChem CID78972767
Molecular FormulaC8H15NO6S
Molecular Weight253.28 g/mol
Exact Mass253.06
IUPAC Name(2R)-2-[(3-ethoxy-3-oxopropyl)sulfonylamino]propanoic acid
SMILESCCOC(=O)CCS(=O)(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C8H15NO6S/c1-3-15-7(10)4-5-16(13,14)9-6(2)8(11)12/h6,9H,3-5H2,1-2H3,(H,11,12)/t6-/m1/s1
InChIKeyGYAZPMZSXQBKQG-ZCFIWIBFSA-N
XLogP-0.67
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-(butan-2-ylsulfamoyl)propanoate
CID 63900304
(2S)-2-[(3-ethoxy-3-oxopropyl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 61459403
(2S)-2-(propylsulfonylamino)propanoic acid
CID 7130952
(2S)-2-[(3-ethoxy-3-oxopropyl)sulfonylamino]-2-phenylacetic acid
CID 103862426
2-cyclohexyl-2-[(3-ethoxy-3-oxopropyl)sulfonylamino]acetic acid
CID 61459208
methyl 3-(3-oxopentan-2-ylsulfamoyl)propanoate
CID 64994359
4-[(3-ethoxy-3-oxopropyl)sulfonylamino]-3-methylbutanoic acid
CID 81065562
(2S)-5-ethoxy-5-oxo-2-(2-propan-2-yloxyethylsulfonylamino)pentanoic acid
CID 107039392
ethyl 2-(3-methylbutylsulfonylamino)propanoate
CID 55259465
(2S)-3-hydroxy-2-[(3-methoxy-3-oxopropyl)sulfonylamino]propanoic acid
CID 61458313
ethyl 3-(2-aminobutylsulfamoyl)propanoate
CID 63730554
ethyl 3-[(1-amino-2,3-dimethylbutan-2-yl)sulfamoyl]propanoate
CID 115310691

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-ethoxy-3-oxopropyl)sulfonylamino]propanoic acid?
The IUPAC name of (2R)-2-[(3-ethoxy-3-oxopropyl)sulfonylamino]propanoic acid (CID 78972767) is (2R)-2-[(3-ethoxy-3-oxopropyl)sulfonylamino]propanoic acid.
What is the SMILES notation for (2R)-2-[(3-ethoxy-3-oxopropyl)sulfonylamino]propanoic acid?
The canonical SMILES for (2R)-2-[(3-ethoxy-3-oxopropyl)sulfonylamino]propanoic acid is CCOC(=O)CCS(=O)(=O)N[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-[(3-ethoxy-3-oxopropyl)sulfonylamino]propanoic acid?
The InChIKey is GYAZPMZSXQBKQG-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H15NO6S/c1-3-15-7(10)4-5-16(13,14)9-6(2)8(11)12/h6,9H,3-5H2,1-2H3,(H,11,12)/t6-/m1/s1.
What are the key properties of (2R)-2-[(3-ethoxy-3-oxopropyl)sulfonylamino]propanoic acid?
(2R)-2-[(3-ethoxy-3-oxopropyl)sulfonylamino]propanoic acid has a molecular weight of 253.28 g/mol, XLogP of -0.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-ethoxy-3-oxopropyl)sulfonylamino]propanoic acid is sourced from PubChem (CID 78972767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).