(2R)-4-hydroxy-2-[(1-methylpyrrol-3-yl)sulfonylamino]butanoic acid

C9H14N2O5S — CID 107824095

IUPAC(2R)-4-hydroxy-2-[(1-methylpyrrol-3-yl)sulfonylamino]butanoic acid
SMILESCn1ccc(S(=O)(=O)N[C@H](CCO)C(=O)O)c1
InChIInChI=1S/C9H14N2O5S/c1-11-4-2-7(6-11)17(15,16)10-8(3-5-12)9(13)14/h2,4,6,8,10,12H,3,5H2,1H3,(H,13,14)/t8-/m1/s1
InChIKeyCTYNQGIEDUZONF-MRVPVSSYSA-N
MW262.29 g/mol
LogP-0.86
Rot. Bonds6

About (2R)-4-hydroxy-2-[(1-methylpyrrol-3-yl)sulfonylamino]butanoic acid

(2R)-4-hydroxy-2-[(1-methylpyrrol-3-yl)sulfonylamino]butanoic acid (PubChem CID 107824095) has the molecular formula C9H14N2O5S and a molecular weight of 262.29 g/mol. Its IUPAC name is (2R)-4-hydroxy-2-[(1-methylpyrrol-3-yl)sulfonylamino]butanoic acid.

Molecular Properties

Compound Name(2R)-4-hydroxy-2-[(1-methylpyrrol-3-yl)sulfonylamino]butanoic acid
PubChem CID107824095
Molecular FormulaC9H14N2O5S
Molecular Weight262.29 g/mol
Exact Mass262.06
IUPAC Name(2R)-4-hydroxy-2-[(1-methylpyrrol-3-yl)sulfonylamino]butanoic acid
SMILESCn1ccc(S(=O)(=O)N[C@H](CCO)C(=O)O)c1
InChIInChI=1S/C9H14N2O5S/c1-11-4-2-7(6-11)17(15,16)10-8(3-5-12)9(13)14/h2,4,6,8,10,12H,3,5H2,1H3,(H,13,14)/t8-/m1/s1
InChIKeyCTYNQGIEDUZONF-MRVPVSSYSA-N
XLogP-0.86
TPSA108.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-methylpyrrol-3-yl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 43294298
(2S)-4-hydroxy-2-[(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid
CID 104935052
(2S)-4-hydroxy-2-[(4-methylsulfonylphenyl)sulfonylamino]butanoic acid
CID 104934935
2-[(3,4-dimethoxyphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244059
(2R)-2-[(4-tert-butylphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 104933793
2-methyl-3-[(1-methylpyrrol-3-yl)sulfonylamino]propanoic acid
CID 62675008
2-[(3,5-dimethylphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244974
(2R)-2-[(3-fluoro-4-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 104933822
(2R)-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 104933823
2-hydroxy-4-[(1-methylpyrrol-3-yl)sulfonylamino]butanoic acid
CID 107835273
2-[(4-butan-2-ylphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244774
(2S)-2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]-4-hydroxybutanoic acid
CID 104935018

Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-2-[(1-methylpyrrol-3-yl)sulfonylamino]butanoic acid?
The IUPAC name of (2R)-4-hydroxy-2-[(1-methylpyrrol-3-yl)sulfonylamino]butanoic acid (CID 107824095) is (2R)-4-hydroxy-2-[(1-methylpyrrol-3-yl)sulfonylamino]butanoic acid.
What is the SMILES notation for (2R)-4-hydroxy-2-[(1-methylpyrrol-3-yl)sulfonylamino]butanoic acid?
The canonical SMILES for (2R)-4-hydroxy-2-[(1-methylpyrrol-3-yl)sulfonylamino]butanoic acid is Cn1ccc(S(=O)(=O)N[C@H](CCO)C(=O)O)c1.
What is the InChIKey of (2R)-4-hydroxy-2-[(1-methylpyrrol-3-yl)sulfonylamino]butanoic acid?
The InChIKey is CTYNQGIEDUZONF-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H14N2O5S/c1-11-4-2-7(6-11)17(15,16)10-8(3-5-12)9(13)14/h2,4,6,8,10,12H,3,5H2,1H3,(H,13,14)/t8-/m1/s1.
What are the key properties of (2R)-4-hydroxy-2-[(1-methylpyrrol-3-yl)sulfonylamino]butanoic acid?
(2R)-4-hydroxy-2-[(1-methylpyrrol-3-yl)sulfonylamino]butanoic acid has a molecular weight of 262.29 g/mol, XLogP of -0.86, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-hydroxy-2-[(1-methylpyrrol-3-yl)sulfonylamino]butanoic acid is sourced from PubChem (CID 107824095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).