(2R)-2-[(4-ethoxyphenyl)sulfonylamino]pentanoic acid

C13H19NO5S — CID 93252502

IUPAC(2R)-2-[(4-ethoxyphenyl)sulfonylamino]pentanoic acid
SMILESCCC[C@@H](NS(=O)(=O)c1ccc(OCC)cc1)C(=O)O
InChIInChI=1S/C13H19NO5S/c1-3-5-12(13(15)16)14-20(17,18)11-8-6-10(7-9-11)19-4-2/h6-9,12,14H,3-5H2,1-2H3,(H,15,16)/t12-/m1/s1
InChIKeyLYGZTUJGXDVXMQ-GFCCVEGCSA-N
MW301.36 g/mol
LogP1.62
Rot. Bonds8

About (2R)-2-[(4-ethoxyphenyl)sulfonylamino]pentanoic acid

(2R)-2-[(4-ethoxyphenyl)sulfonylamino]pentanoic acid (PubChem CID 93252502) has the molecular formula C13H19NO5S and a molecular weight of 301.36 g/mol. Its IUPAC name is (2R)-2-[(4-ethoxyphenyl)sulfonylamino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4-ethoxyphenyl)sulfonylamino]pentanoic acid
PubChem CID93252502
Molecular FormulaC13H19NO5S
Molecular Weight301.36 g/mol
Exact Mass301.10
IUPAC Name(2R)-2-[(4-ethoxyphenyl)sulfonylamino]pentanoic acid
SMILESCCC[C@@H](NS(=O)(=O)c1ccc(OCC)cc1)C(=O)O
InChIInChI=1S/C13H19NO5S/c1-3-5-12(13(15)16)14-20(17,18)11-8-6-10(7-9-11)19-4-2/h6-9,12,14H,3-5H2,1-2H3,(H,15,16)/t12-/m1/s1
InChIKeyLYGZTUJGXDVXMQ-GFCCVEGCSA-N
XLogP1.62
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-ethoxyphenyl)sulfonylamino]-5-methylhexanoic acid
CID 18801854
2-[(4-ethoxyphenyl)sulfonylamino]-4-methoxybutanoic acid
CID 62478985
(2S)-2-[(4-chlorophenyl)sulfonylamino]pentanoic acid
CID 788533
2-[(4-fluorophenyl)sulfonylamino]pentanoic acid
CID 3745894
(2R)-2-[(4-tert-butylphenyl)sulfonylamino]pentanoic acid
CID 93252469
4-ethoxy-N-pentan-2-ylbenzenesulfonamide
CID 2957183
(2S,3R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 104935293
3-amino-2-[(4-butoxyphenyl)sulfonylamino]propanoic acid
CID 54072667
(2S)-2-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]-3-phenylpropanamide
CID 30144497
(2R)-2-[(4-methoxyphenyl)sulfonylamino]butanoic acid
CID 773559
methyl 2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 78516433
2-[(3-ethoxycarbonyl-4-methylphenyl)sulfonylamino]pentanoic acid
CID 120968689

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-ethoxyphenyl)sulfonylamino]pentanoic acid?
The IUPAC name of (2R)-2-[(4-ethoxyphenyl)sulfonylamino]pentanoic acid (CID 93252502) is (2R)-2-[(4-ethoxyphenyl)sulfonylamino]pentanoic acid.
What is the SMILES notation for (2R)-2-[(4-ethoxyphenyl)sulfonylamino]pentanoic acid?
The canonical SMILES for (2R)-2-[(4-ethoxyphenyl)sulfonylamino]pentanoic acid is CCC[C@@H](NS(=O)(=O)c1ccc(OCC)cc1)C(=O)O.
What is the InChIKey of (2R)-2-[(4-ethoxyphenyl)sulfonylamino]pentanoic acid?
The InChIKey is LYGZTUJGXDVXMQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H19NO5S/c1-3-5-12(13(15)16)14-20(17,18)11-8-6-10(7-9-11)19-4-2/h6-9,12,14H,3-5H2,1-2H3,(H,15,16)/t12-/m1/s1.
What are the key properties of (2R)-2-[(4-ethoxyphenyl)sulfonylamino]pentanoic acid?
(2R)-2-[(4-ethoxyphenyl)sulfonylamino]pentanoic acid has a molecular weight of 301.36 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-ethoxyphenyl)sulfonylamino]pentanoic acid is sourced from PubChem (CID 93252502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).