(2S)-2-[(6-methoxy-3-pyridinyl)sulfonylamino]propanoic acid

C9H12N2O5S — CID 122069805

IUPAC(2S)-2-[(6-methoxy-3-pyridinyl)sulfonylamino]propanoic acid
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)O)cn1
InChIInChI=1S/C9H12N2O5S/c1-6(9(12)13)11-17(14,15)7-3-4-8(16-2)10-5-7/h3-6,11H,1-2H3,(H,12,13)/t6-/m0/s1
InChIKeyAWAIDIJLBYYUJM-LURJTMIESA-N
MW260.27 g/mol
LogP-0.16
Rot. Bonds5

About (2S)-2-[(6-methoxy-3-pyridinyl)sulfonylamino]propanoic acid

(2S)-2-[(6-methoxy-3-pyridinyl)sulfonylamino]propanoic acid (PubChem CID 122069805) has the molecular formula C9H12N2O5S and a molecular weight of 260.27 g/mol. Its IUPAC name is (2S)-2-[(6-methoxy-3-pyridinyl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(6-methoxy-3-pyridinyl)sulfonylamino]propanoic acid
PubChem CID122069805
Molecular FormulaC9H12N2O5S
Molecular Weight260.27 g/mol
Exact Mass260.05
IUPAC Name(2S)-2-[(6-methoxy-3-pyridinyl)sulfonylamino]propanoic acid
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)O)cn1
InChIInChI=1S/C9H12N2O5S/c1-6(9(12)13)11-17(14,15)7-3-4-8(16-2)10-5-7/h3-6,11H,1-2H3,(H,12,13)/t6-/m0/s1
InChIKeyAWAIDIJLBYYUJM-LURJTMIESA-N
XLogP-0.16
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(6-methylsulfonyl-3-pyridinyl)sulfonylamino]propanoic acid
CID 120660271
3-[(6-methoxy-3-pyridinyl)sulfonylamino]cyclobutane-1-carboxylic acid
CID 146102616
2-(pyridin-3-ylsulfonylamino)propanoic acid
CID 24691769
(2S)-2-[(4-methylphenyl)sulfonylamino]propanoic acid;hydrate
CID 131749441
3-[(6-methoxy-3-pyridinyl)sulfonyl-methylamino]-2-methylpropanoic acid
CID 122072863
(2R)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]propanoic acid
CID 42254919
N-[(6-methoxy-3-pyridinyl)sulfonyl]-2-(2-methylphenyl)propanamide
CID 154869021
2-methoxy-5-methylsulfonylpyridine
CID 13433434
(2S)-2-[(4-acetylphenyl)sulfonylamino]propanoic acid
CID 2080939
methyl 2-[(6-cyano-3-pyridinyl)sulfonylamino]propanoate
CID 114613820
2-[(4-acetamidophenyl)sulfonylamino]propanoic acid
CID 3393223
(2R)-2-[(4-formylphenyl)sulfonylamino]propanoic acid
CID 89012126

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(6-methoxy-3-pyridinyl)sulfonylamino]propanoic acid?
The IUPAC name of (2S)-2-[(6-methoxy-3-pyridinyl)sulfonylamino]propanoic acid (CID 122069805) is (2S)-2-[(6-methoxy-3-pyridinyl)sulfonylamino]propanoic acid.
What is the SMILES notation for (2S)-2-[(6-methoxy-3-pyridinyl)sulfonylamino]propanoic acid?
The canonical SMILES for (2S)-2-[(6-methoxy-3-pyridinyl)sulfonylamino]propanoic acid is COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)O)cn1.
What is the InChIKey of (2S)-2-[(6-methoxy-3-pyridinyl)sulfonylamino]propanoic acid?
The InChIKey is AWAIDIJLBYYUJM-LURJTMIESA-N. The full InChI is InChI=1S/C9H12N2O5S/c1-6(9(12)13)11-17(14,15)7-3-4-8(16-2)10-5-7/h3-6,11H,1-2H3,(H,12,13)/t6-/m0/s1.
What are the key properties of (2S)-2-[(6-methoxy-3-pyridinyl)sulfonylamino]propanoic acid?
(2S)-2-[(6-methoxy-3-pyridinyl)sulfonylamino]propanoic acid has a molecular weight of 260.27 g/mol, XLogP of -0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(6-methoxy-3-pyridinyl)sulfonylamino]propanoic acid is sourced from PubChem (CID 122069805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).