(2R)-2-[(2-methoxy-3-phenylpropyl)sulfonylamino]-3-phenylpropanoic acid

C19H23NO5S — CID 122103385

IUPAC(2R)-2-[(2-methoxy-3-phenylpropyl)sulfonylamino]-3-phenylpropanoic acid
SMILESCOC(Cc1ccccc1)CS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C19H23NO5S/c1-25-17(12-15-8-4-2-5-9-15)14-26(23,24)20-18(19(21)22)13-16-10-6-3-7-11-16/h2-11,17-18,20H,12-14H2,1H3,(H,21,22)/t17?,18-/m1/s1
InChIKeyGIBXNTZUIHIKJJ-QRWMCTBCSA-N
MW377.46 g/mol
LogP1.86
Rot. Bonds10

About (2R)-2-[(2-methoxy-3-phenylpropyl)sulfonylamino]-3-phenylpropanoic acid

(2R)-2-[(2-methoxy-3-phenylpropyl)sulfonylamino]-3-phenylpropanoic acid (PubChem CID 122103385) has the molecular formula C19H23NO5S and a molecular weight of 377.46 g/mol. Its IUPAC name is (2R)-2-[(2-methoxy-3-phenylpropyl)sulfonylamino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-methoxy-3-phenylpropyl)sulfonylamino]-3-phenylpropanoic acid
PubChem CID122103385
Molecular FormulaC19H23NO5S
Molecular Weight377.46 g/mol
Exact Mass377.13
IUPAC Name(2R)-2-[(2-methoxy-3-phenylpropyl)sulfonylamino]-3-phenylpropanoic acid
SMILESCOC(Cc1ccccc1)CS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C19H23NO5S/c1-25-17(12-15-8-4-2-5-9-15)14-26(23,24)20-18(19(21)22)13-16-10-6-3-7-11-16/h2-11,17-18,20H,12-14H2,1H3,(H,21,22)/t17?,18-/m1/s1
InChIKeyGIBXNTZUIHIKJJ-QRWMCTBCSA-N
XLogP1.86
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyethylsulfonylamino)-3-phenylpropanoic acid
CID 55009884
(2S)-2-[(2-methoxy-2-oxoethyl)sulfonylamino]-3-phenylpropanoic acid
CID 61359341
2-(2-ethoxyethylsulfonylamino)-3-phenylpropanoic acid
CID 63246185
2-(methylsulfonylmethylsulfonylamino)-3-phenylpropanoic acid
CID 82840375
2-methoxy-3-phenylpropane-1-sulfonyl chloride
CID 115046417
(2S)-2-(methoxycarbonylsulfamoylamino)-3-phenylpropanoic acid
CID 104929105
2-[(2-ethoxy-2-oxoethyl)sulfonylamino]-3-phenylpropanoic acid
CID 61457000
2-(1-hydroxyethylsulfonylamino)-3-phenylpropanoic acid
CID 176961767
3-phenyl-2-(propan-2-ylsulfamoylamino)propanoic acid
CID 85300232
(2S)-2-(benzylsulfonylamino)-3-phenylpropanoic acid;1,3-dichloropropan-2-one
CID 159933246
(2S)-3-(4-hydroxyphenyl)-2-(propylsulfonylamino)propanoic acid
CID 30046268
2-(tert-butylsulfamoylamino)-3-phenylpropanoic acid
CID 114805224

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-methoxy-3-phenylpropyl)sulfonylamino]-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-[(2-methoxy-3-phenylpropyl)sulfonylamino]-3-phenylpropanoic acid (CID 122103385) is (2R)-2-[(2-methoxy-3-phenylpropyl)sulfonylamino]-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-[(2-methoxy-3-phenylpropyl)sulfonylamino]-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-[(2-methoxy-3-phenylpropyl)sulfonylamino]-3-phenylpropanoic acid is COC(Cc1ccccc1)CS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-[(2-methoxy-3-phenylpropyl)sulfonylamino]-3-phenylpropanoic acid?
The InChIKey is GIBXNTZUIHIKJJ-QRWMCTBCSA-N. The full InChI is InChI=1S/C19H23NO5S/c1-25-17(12-15-8-4-2-5-9-15)14-26(23,24)20-18(19(21)22)13-16-10-6-3-7-11-16/h2-11,17-18,20H,12-14H2,1H3,(H,21,22)/t17?,18-/m1/s1.
What are the key properties of (2R)-2-[(2-methoxy-3-phenylpropyl)sulfonylamino]-3-phenylpropanoic acid?
(2R)-2-[(2-methoxy-3-phenylpropyl)sulfonylamino]-3-phenylpropanoic acid has a molecular weight of 377.46 g/mol, XLogP of 1.86, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-methoxy-3-phenylpropyl)sulfonylamino]-3-phenylpropanoic acid is sourced from PubChem (CID 122103385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).