(2R)-2-[(4-methoxyphenyl)sulfonylamino]butanoic acid

C11H15NO5S — CID 773559

IUPAC(2R)-2-[(4-methoxyphenyl)sulfonylamino]butanoic acid
SMILESCC[C@@H](NS(=O)(=O)c1ccc(OC)cc1)C(=O)O
InChIInChI=1S/C11H15NO5S/c1-3-10(11(13)14)12-18(15,16)9-6-4-8(17-2)5-7-9/h4-7,10,12H,3H2,1-2H3,(H,13,14)/t10-/m1/s1
InChIKeyPGPKGVWYCBSFDJ-SNVBAGLBSA-N
MW273.31 g/mol
LogP0.84
Rot. Bonds6

About (2R)-2-[(4-methoxyphenyl)sulfonylamino]butanoic acid

(2R)-2-[(4-methoxyphenyl)sulfonylamino]butanoic acid (PubChem CID 773559) has the molecular formula C11H15NO5S and a molecular weight of 273.31 g/mol. Its IUPAC name is (2R)-2-[(4-methoxyphenyl)sulfonylamino]butanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4-methoxyphenyl)sulfonylamino]butanoic acid
PubChem CID773559
Molecular FormulaC11H15NO5S
Molecular Weight273.31 g/mol
Exact Mass273.07
IUPAC Name(2R)-2-[(4-methoxyphenyl)sulfonylamino]butanoic acid
SMILESCC[C@@H](NS(=O)(=O)c1ccc(OC)cc1)C(=O)O
InChIInChI=1S/C11H15NO5S/c1-3-10(11(13)14)12-18(15,16)9-6-4-8(17-2)5-7-9/h4-7,10,12H,3H2,1-2H3,(H,13,14)/t10-/m1/s1
InChIKeyPGPKGVWYCBSFDJ-SNVBAGLBSA-N
XLogP0.84
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-fluoro-2-[(4-methoxyphenyl)sulfonylamino]pent-4-enoic acid
CID 89120204
2-[(4-aminophenyl)sulfonylamino]butanoic acid
CID 71945727
(2S)-2-[(4-tert-butylphenyl)sulfonylamino]butanoic acid
CID 42255460
methyl 3-amino-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 57153558
2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]butanoic acid
CID 43415053
2-[(4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid
CID 500044
(2S)-N-[(2R)-butan-2-yl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 34675609
methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 2496939
ethyl 2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 101017331
3-[(4-methoxyphenyl)sulfonylamino]-2-methylpropanoic acid
CID 54144139
2-[[4-(acetamidomethyl)phenyl]sulfonylamino]butanoic acid
CID 43386785
(2R)-2-[(4-ethoxyphenyl)sulfonylamino]pentanoic acid
CID 93252502

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-methoxyphenyl)sulfonylamino]butanoic acid?
The IUPAC name of (2R)-2-[(4-methoxyphenyl)sulfonylamino]butanoic acid (CID 773559) is (2R)-2-[(4-methoxyphenyl)sulfonylamino]butanoic acid.
What is the SMILES notation for (2R)-2-[(4-methoxyphenyl)sulfonylamino]butanoic acid?
The canonical SMILES for (2R)-2-[(4-methoxyphenyl)sulfonylamino]butanoic acid is CC[C@@H](NS(=O)(=O)c1ccc(OC)cc1)C(=O)O.
What is the InChIKey of (2R)-2-[(4-methoxyphenyl)sulfonylamino]butanoic acid?
The InChIKey is PGPKGVWYCBSFDJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15NO5S/c1-3-10(11(13)14)12-18(15,16)9-6-4-8(17-2)5-7-9/h4-7,10,12H,3H2,1-2H3,(H,13,14)/t10-/m1/s1.
What are the key properties of (2R)-2-[(4-methoxyphenyl)sulfonylamino]butanoic acid?
(2R)-2-[(4-methoxyphenyl)sulfonylamino]butanoic acid has a molecular weight of 273.31 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-methoxyphenyl)sulfonylamino]butanoic acid is sourced from PubChem (CID 773559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).