(2S)-2-[(4-ethoxy-3-pyridinyl)sulfonylamino]propanoic acid

C10H14N2O5S — CID 122069813

IUPAC(2S)-2-[(4-ethoxy-3-pyridinyl)sulfonylamino]propanoic acid
SMILESCCOc1ccncc1S(=O)(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C10H14N2O5S/c1-3-17-8-4-5-11-6-9(8)18(15,16)12-7(2)10(13)14/h4-7,12H,3H2,1-2H3,(H,13,14)/t7-/m0/s1
InChIKeySZASXEQAAIJKTI-ZETCQYMHSA-N
MW274.30 g/mol
LogP0.23
Rot. Bonds6

About (2S)-2-[(4-ethoxy-3-pyridinyl)sulfonylamino]propanoic acid

(2S)-2-[(4-ethoxy-3-pyridinyl)sulfonylamino]propanoic acid (PubChem CID 122069813) has the molecular formula C10H14N2O5S and a molecular weight of 274.30 g/mol. Its IUPAC name is (2S)-2-[(4-ethoxy-3-pyridinyl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(4-ethoxy-3-pyridinyl)sulfonylamino]propanoic acid
PubChem CID122069813
Molecular FormulaC10H14N2O5S
Molecular Weight274.30 g/mol
Exact Mass274.06
IUPAC Name(2S)-2-[(4-ethoxy-3-pyridinyl)sulfonylamino]propanoic acid
SMILESCCOc1ccncc1S(=O)(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C10H14N2O5S/c1-3-17-8-4-5-11-6-9(8)18(15,16)12-7(2)10(13)14/h4-7,12H,3H2,1-2H3,(H,13,14)/t7-/m0/s1
InChIKeySZASXEQAAIJKTI-ZETCQYMHSA-N
XLogP0.23
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-2-[(4-ethoxy-3-pyridinyl)sulfonylamino]-3-methylpentanoic acid
CID 122069871
(2R)-2-(isoquinolin-5-ylsulfonylamino)propanoic acid
CID 54991574
4-[(4-ethoxy-3-pyridinyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 122071113
2-[(4-ethoxy-3-methylphenyl)sulfonylamino]propanoic acid
CID 6462452
2-(pyridin-3-ylsulfonylamino)propanoic acid
CID 24691769
N-(2,3-dihydro-1H-inden-2-yl)-4-ethoxypyridine-3-sulfonamide
CID 167932143
2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]propanamide
CID 43890314
(2S)-2-(furo[3,2-c]pyridin-2-ylsulfonylamino)propanoic acid;hydrochloride
CID 122685898
2-amino-2-(3-ethoxy-4-pyridinyl)acetic acid
CID 83879712
(2R)-1-[(4-ethoxy-3-pyridinyl)sulfonyl]pyrrolidine-2-carboxylic acid
CID 122069680
(2S)-2-[(5-ethoxycarbonyl-2-methoxyphenyl)sulfonylamino]propanoic acid
CID 120968720
5-bromo-2-ethoxy-N-[(1S)-1-pyridin-3-ylethyl]benzenesulfonamide
CID 40673071

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-ethoxy-3-pyridinyl)sulfonylamino]propanoic acid?
The IUPAC name of (2S)-2-[(4-ethoxy-3-pyridinyl)sulfonylamino]propanoic acid (CID 122069813) is (2S)-2-[(4-ethoxy-3-pyridinyl)sulfonylamino]propanoic acid.
What is the SMILES notation for (2S)-2-[(4-ethoxy-3-pyridinyl)sulfonylamino]propanoic acid?
The canonical SMILES for (2S)-2-[(4-ethoxy-3-pyridinyl)sulfonylamino]propanoic acid is CCOc1ccncc1S(=O)(=O)N[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-[(4-ethoxy-3-pyridinyl)sulfonylamino]propanoic acid?
The InChIKey is SZASXEQAAIJKTI-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H14N2O5S/c1-3-17-8-4-5-11-6-9(8)18(15,16)12-7(2)10(13)14/h4-7,12H,3H2,1-2H3,(H,13,14)/t7-/m0/s1.
What are the key properties of (2S)-2-[(4-ethoxy-3-pyridinyl)sulfonylamino]propanoic acid?
(2S)-2-[(4-ethoxy-3-pyridinyl)sulfonylamino]propanoic acid has a molecular weight of 274.30 g/mol, XLogP of 0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-ethoxy-3-pyridinyl)sulfonylamino]propanoic acid is sourced from PubChem (CID 122069813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).