(2R)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]propanoic acid

C12H17NO5S — CID 42254919

IUPAC(2R)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]propanoic acid
SMILESCC(C)Oc1ccc(S(=O)(=O)N[C@H](C)C(=O)O)cc1
InChIInChI=1S/C12H17NO5S/c1-8(2)18-10-4-6-11(7-5-10)19(16,17)13-9(3)12(14)15/h4-9,13H,1-3H3,(H,14,15)/t9-/m1/s1
InChIKeyCQQNJDDHVBUGHK-SECBINFHSA-N
MW287.34 g/mol
LogP1.23
Rot. Bonds6

About (2R)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]propanoic acid

(2R)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]propanoic acid (PubChem CID 42254919) has the molecular formula C12H17NO5S and a molecular weight of 287.34 g/mol. Its IUPAC name is (2R)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]propanoic acid
PubChem CID42254919
Molecular FormulaC12H17NO5S
Molecular Weight287.34 g/mol
Exact Mass287.08
IUPAC Name(2R)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]propanoic acid
SMILESCC(C)Oc1ccc(S(=O)(=O)N[C@H](C)C(=O)O)cc1
InChIInChI=1S/C12H17NO5S/c1-8(2)18-10-4-6-11(7-5-10)19(16,17)13-9(3)12(14)15/h4-9,13H,1-3H3,(H,14,15)/t9-/m1/s1
InChIKeyCQQNJDDHVBUGHK-SECBINFHSA-N
XLogP1.23
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(4-methylphenyl)sulfonylamino]propanoic acid;hydrate
CID 131749441
2-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]propanoic acid
CID 43362323
(2S)-2-[(4-acetylphenyl)sulfonylamino]propanoic acid
CID 2080939
2-[(4-acetamidophenyl)sulfonylamino]propanoic acid
CID 3393223
(2R)-2-[(4-formylphenyl)sulfonylamino]propanoic acid
CID 89012126
(2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]propanoic acid
CID 51715390
(2S)-2-phenyl-N-propan-2-yl-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide
CID 110286716
methyl 3-phenyl-2-[(4-propan-2-yloxyphenyl)sulfonylamino]propanoate
CID 110504250
(2S)-2-[[4-(4-hydroxysulfanylphenyl)phenyl]sulfonylamino]propanoic acid
CID 163865049
(2S)-2-[[4-(4-methylsulfanylphenyl)phenyl]sulfonylamino]propanoic acid
CID 142835559
4-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]benzenesulfonamide
CID 86790597
N-(1-hydroxy-2-methylpropan-2-yl)-4-propan-2-yloxybenzenesulfonamide
CID 39389642

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]propanoic acid?
The IUPAC name of (2R)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]propanoic acid (CID 42254919) is (2R)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]propanoic acid.
What is the SMILES notation for (2R)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]propanoic acid?
The canonical SMILES for (2R)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]propanoic acid is CC(C)Oc1ccc(S(=O)(=O)N[C@H](C)C(=O)O)cc1.
What is the InChIKey of (2R)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]propanoic acid?
The InChIKey is CQQNJDDHVBUGHK-SECBINFHSA-N. The full InChI is InChI=1S/C12H17NO5S/c1-8(2)18-10-4-6-11(7-5-10)19(16,17)13-9(3)12(14)15/h4-9,13H,1-3H3,(H,14,15)/t9-/m1/s1.
What are the key properties of (2R)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]propanoic acid?
(2R)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]propanoic acid has a molecular weight of 287.34 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]propanoic acid is sourced from PubChem (CID 42254919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).