(2R)-2-(benzylsulfonylamino)-3-phenylmethoxypropanoic acid

C17H19NO5S — CID 11163898

IUPAC(2R)-2-(benzylsulfonylamino)-3-phenylmethoxypropanoic acid
SMILESO=C(O)[C@@H](COCc1ccccc1)NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C17H19NO5S/c19-17(20)16(12-23-11-14-7-3-1-4-8-14)18-24(21,22)13-15-9-5-2-6-10-15/h1-10,16,18H,11-13H2,(H,19,20)/t16-/m1/s1
InChIKeyQIDIZBREMSUIAI-MRXNPFEDSA-N
MW349.41 g/mol
LogP1.78
Rot. Bonds9

About (2R)-2-(benzylsulfonylamino)-3-phenylmethoxypropanoic acid

(2R)-2-(benzylsulfonylamino)-3-phenylmethoxypropanoic acid (PubChem CID 11163898) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is (2R)-2-(benzylsulfonylamino)-3-phenylmethoxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-(benzylsulfonylamino)-3-phenylmethoxypropanoic acid
PubChem CID11163898
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC Name(2R)-2-(benzylsulfonylamino)-3-phenylmethoxypropanoic acid
SMILESO=C(O)[C@@H](COCc1ccccc1)NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C17H19NO5S/c19-17(20)16(12-23-11-14-7-3-1-4-8-14)18-24(21,22)13-15-9-5-2-6-10-15/h1-10,16,18H,11-13H2,(H,19,20)/t16-/m1/s1
InChIKeyQIDIZBREMSUIAI-MRXNPFEDSA-N
XLogP1.78
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(benzylsulfonylamino)-4-hydroxybutanoic acid
CID 104934956
2-anilino-3-phenylmethoxypropanoic acid
CID 154530203
(2S)-2-(benzylsulfonylamino)-3-phenylpropanoic acid;1,3-dichloropropan-2-one
CID 159933246
(2R)-2-(2,2-dimethylpropanoylamino)-3-phenylmethoxypropanoic acid
CID 59970231
(2R)-2-(ethylsulfonylamino)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-phenylmethoxypropanamide
CID 10812084
(2S)-2-(benzylsulfonylamino)-2-phenylacetic acid
CID 103862430
(2R)-2-methyl-1-phenyl-3-phenylmethoxypropan-1-one
CID 12630921
(2S)-2-(2-bromopropanoylamino)-3-phenylmethoxypropanoic acid
CID 141127685
1-phenyl-N-(2-phenylmethoxyethyl)methanesulfonamide
CID 3764868
(2S)-2-[[2-(benzylsulfonylamino)-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]propanoic acid
CID 71198862
N-[(2S,8S)-8-(benzylsulfonylamino)-4,6-difluoro-3,5,7-trioxo-1,9-diphenylnonan-2-yl]-1-phenylmethanesulfonamide
CID 171616798
methyl (2S)-2-benzamido-3-phenylmethoxypropanoate
CID 10870709

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(benzylsulfonylamino)-3-phenylmethoxypropanoic acid?
The IUPAC name of (2R)-2-(benzylsulfonylamino)-3-phenylmethoxypropanoic acid (CID 11163898) is (2R)-2-(benzylsulfonylamino)-3-phenylmethoxypropanoic acid.
What is the SMILES notation for (2R)-2-(benzylsulfonylamino)-3-phenylmethoxypropanoic acid?
The canonical SMILES for (2R)-2-(benzylsulfonylamino)-3-phenylmethoxypropanoic acid is O=C(O)[C@@H](COCc1ccccc1)NS(=O)(=O)Cc1ccccc1.
What is the InChIKey of (2R)-2-(benzylsulfonylamino)-3-phenylmethoxypropanoic acid?
The InChIKey is QIDIZBREMSUIAI-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H19NO5S/c19-17(20)16(12-23-11-14-7-3-1-4-8-14)18-24(21,22)13-15-9-5-2-6-10-15/h1-10,16,18H,11-13H2,(H,19,20)/t16-/m1/s1.
What are the key properties of (2R)-2-(benzylsulfonylamino)-3-phenylmethoxypropanoic acid?
(2R)-2-(benzylsulfonylamino)-3-phenylmethoxypropanoic acid has a molecular weight of 349.41 g/mol, XLogP of 1.78, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(benzylsulfonylamino)-3-phenylmethoxypropanoic acid is sourced from PubChem (CID 11163898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).