ethyl (2R)-2-benzyl-3-(methanesulfonamido)propanoate

C13H19NO4S — CID 94215480

IUPACethyl (2R)-2-benzyl-3-(methanesulfonamido)propanoate
SMILESCCOC(=O)[C@@H](CNS(C)(=O)=O)Cc1ccccc1
InChIInChI=1S/C13H19NO4S/c1-3-18-13(15)12(10-14-19(2,16)17)9-11-7-5-4-6-8-11/h4-8,12,14H,3,9-10H2,1-2H3/t12-/m1/s1
InChIKeyBRRFGUQKKGTTCP-GFCCVEGCSA-N
MW285.37 g/mol
LogP0.96
Rot. Bonds7

About ethyl (2R)-2-benzyl-3-(methanesulfonamido)propanoate

ethyl (2R)-2-benzyl-3-(methanesulfonamido)propanoate (PubChem CID 94215480) has the molecular formula C13H19NO4S and a molecular weight of 285.37 g/mol. Its IUPAC name is ethyl (2R)-2-benzyl-3-(methanesulfonamido)propanoate.

Molecular Properties

Compound Nameethyl (2R)-2-benzyl-3-(methanesulfonamido)propanoate
PubChem CID94215480
Molecular FormulaC13H19NO4S
Molecular Weight285.37 g/mol
Exact Mass285.10
IUPAC Nameethyl (2R)-2-benzyl-3-(methanesulfonamido)propanoate
SMILESCCOC(=O)[C@@H](CNS(C)(=O)=O)Cc1ccccc1
InChIInChI=1S/C13H19NO4S/c1-3-18-13(15)12(10-14-19(2,16)17)9-11-7-5-4-6-8-11/h4-8,12,14H,3,9-10H2,1-2H3/t12-/m1/s1
InChIKeyBRRFGUQKKGTTCP-GFCCVEGCSA-N
XLogP0.96
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl (2S)-2-benzyl-3-tert-butylsulfonylpropanoate
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ethyl 2-benzyl-3-(12-methoxydodecanoylamino)propanoate
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methyl 2-benzyl-3-(carbamothioylamino)propanoate
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ethyl (2S)-2-[[(3-aminopyrazine-2-carbonyl)amino]methyl]-3-phenylpropanoate
CID 94800392
(2S)-2-benzyl-3-ethoxy-3-oxopropanoic acid
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N-(2-benzyl-3-methylbutyl)methanesulfonamide
CID 91651363
ethyl (2R)-2-benzyl-3-[[2-(furan-2-carbonylamino)acetyl]amino]propanoate
CID 52513406
ethyl 2-benzyl-3-(isoquinoline-1-carbonylamino)propanoate
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CID 25418419

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-benzyl-3-(methanesulfonamido)propanoate?
The IUPAC name of ethyl (2R)-2-benzyl-3-(methanesulfonamido)propanoate (CID 94215480) is ethyl (2R)-2-benzyl-3-(methanesulfonamido)propanoate.
What is the SMILES notation for ethyl (2R)-2-benzyl-3-(methanesulfonamido)propanoate?
The canonical SMILES for ethyl (2R)-2-benzyl-3-(methanesulfonamido)propanoate is CCOC(=O)[C@@H](CNS(C)(=O)=O)Cc1ccccc1.
What is the InChIKey of ethyl (2R)-2-benzyl-3-(methanesulfonamido)propanoate?
The InChIKey is BRRFGUQKKGTTCP-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-3-18-13(15)12(10-14-19(2,16)17)9-11-7-5-4-6-8-11/h4-8,12,14H,3,9-10H2,1-2H3/t12-/m1/s1.
What are the key properties of ethyl (2R)-2-benzyl-3-(methanesulfonamido)propanoate?
ethyl (2R)-2-benzyl-3-(methanesulfonamido)propanoate has a molecular weight of 285.37 g/mol, XLogP of 0.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-benzyl-3-(methanesulfonamido)propanoate is sourced from PubChem (CID 94215480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).