(2S)-2-(2-methoxypropylsulfonylamino)-2-phenylacetic acid

C12H17NO5S — CID 122067686

IUPAC(2S)-2-(2-methoxypropylsulfonylamino)-2-phenylacetic acid
SMILESCOC(C)CS(=O)(=O)N[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C12H17NO5S/c1-9(18-2)8-19(16,17)13-11(12(14)15)10-6-4-3-5-7-10/h3-7,9,11,13H,8H2,1-2H3,(H,14,15)/t9?,11-/m0/s1
InChIKeyRPSQADHRILZWFM-UMJHXOGRSA-N
MW287.34 g/mol
LogP0.77
Rot. Bonds7

About (2S)-2-(2-methoxypropylsulfonylamino)-2-phenylacetic acid

(2S)-2-(2-methoxypropylsulfonylamino)-2-phenylacetic acid (PubChem CID 122067686) has the molecular formula C12H17NO5S and a molecular weight of 287.34 g/mol. Its IUPAC name is (2S)-2-(2-methoxypropylsulfonylamino)-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-(2-methoxypropylsulfonylamino)-2-phenylacetic acid
PubChem CID122067686
Molecular FormulaC12H17NO5S
Molecular Weight287.34 g/mol
Exact Mass287.08
IUPAC Name(2S)-2-(2-methoxypropylsulfonylamino)-2-phenylacetic acid
SMILESCOC(C)CS(=O)(=O)N[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C12H17NO5S/c1-9(18-2)8-19(16,17)13-11(12(14)15)10-6-4-3-5-7-10/h3-7,9,11,13H,8H2,1-2H3,(H,14,15)/t9?,11-/m0/s1
InChIKeyRPSQADHRILZWFM-UMJHXOGRSA-N
XLogP0.77
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(2-methylsulfonylethylsulfonylamino)-2-phenylacetic acid
CID 103862434
2-(butylsulfonylamino)-2-phenylacetic acid
CID 16775375
(2S)-2-(benzylsulfonylamino)-2-phenylacetic acid
CID 103862430
(2S)-2-[(3-ethoxy-3-oxopropyl)sulfonylamino]-2-phenylacetic acid
CID 103862426
(2R)-2-(2-methylprop-2-enylsulfonylamino)-2-phenylacetic acid
CID 122069455
(2S)-2-(ethylsulfamoylamino)-2-phenylacetic acid
CID 103862444
(2S)-N-[(S)-(3-fluorophenyl)-phenylmethyl]-2-methoxypropane-1-sulfonamide
CID 99843822
2-(2-phenylpropylsulfonylamino)butanoic acid
CID 80686458
(2R)-2-phenyl-2-(3-phenylmethoxypropylsulfonylamino)acetic acid
CID 114286000
(2S)-2-(tert-butylsulfonylamino)-2-phenylacetic acid
CID 104897086
2-[(4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid
CID 500044
(2R)-2-(cyclobutylmethylsulfonylamino)-2-phenylacetic acid
CID 122069426

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methoxypropylsulfonylamino)-2-phenylacetic acid?
The IUPAC name of (2S)-2-(2-methoxypropylsulfonylamino)-2-phenylacetic acid (CID 122067686) is (2S)-2-(2-methoxypropylsulfonylamino)-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-(2-methoxypropylsulfonylamino)-2-phenylacetic acid?
The canonical SMILES for (2S)-2-(2-methoxypropylsulfonylamino)-2-phenylacetic acid is COC(C)CS(=O)(=O)N[C@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2S)-2-(2-methoxypropylsulfonylamino)-2-phenylacetic acid?
The InChIKey is RPSQADHRILZWFM-UMJHXOGRSA-N. The full InChI is InChI=1S/C12H17NO5S/c1-9(18-2)8-19(16,17)13-11(12(14)15)10-6-4-3-5-7-10/h3-7,9,11,13H,8H2,1-2H3,(H,14,15)/t9?,11-/m0/s1.
What are the key properties of (2S)-2-(2-methoxypropylsulfonylamino)-2-phenylacetic acid?
(2S)-2-(2-methoxypropylsulfonylamino)-2-phenylacetic acid has a molecular weight of 287.34 g/mol, XLogP of 0.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methoxypropylsulfonylamino)-2-phenylacetic acid is sourced from PubChem (CID 122067686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).