methyl (2R)-3-hydroxy-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]propanoate

C14H20N2O6S — CID 9277760

IUPACmethyl (2R)-3-hydroxy-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]propanoate
SMILESCOC(=O)[C@@H](CO)NC(=O)CCNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H20N2O6S/c1-10-3-5-11(6-4-10)23(20,21)15-8-7-13(18)16-12(9-17)14(19)22-2/h3-6,12,15,17H,7-9H2,1-2H3,(H,16,18)/t12-/m1/s1
InChIKeyWLZHWBNNAVYESW-GFCCVEGCSA-N
MW344.39 g/mol
LogP-0.69
Rot. Bonds8

About methyl (2R)-3-hydroxy-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]propanoate

methyl (2R)-3-hydroxy-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]propanoate (PubChem CID 9277760) has the molecular formula C14H20N2O6S and a molecular weight of 344.39 g/mol. Its IUPAC name is methyl (2R)-3-hydroxy-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]propanoate.

Molecular Properties

Compound Namemethyl (2R)-3-hydroxy-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]propanoate
PubChem CID9277760
Molecular FormulaC14H20N2O6S
Molecular Weight344.39 g/mol
Exact Mass344.10
IUPAC Namemethyl (2R)-3-hydroxy-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]propanoate
SMILESCOC(=O)[C@@H](CO)NC(=O)CCNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H20N2O6S/c1-10-3-5-11(6-4-10)23(20,21)15-8-7-13(18)16-12(9-17)14(19)22-2/h3-6,12,15,17H,7-9H2,1-2H3,(H,16,18)/t12-/m1/s1
InChIKeyWLZHWBNNAVYESW-GFCCVEGCSA-N
XLogP-0.69
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze methyl (2R)-3-hydroxy-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]propanoate with MolForge

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Related Compounds

methyl 3-[3-[(4-tert-butylphenyl)sulfonylamino]propanoylamino]-3-(4-methylphenyl)propanoate
CID 55440320
propan-2-yl 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 26540834
N-[2-(methylamino)propyl]-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 120831447
N-(2,4-dimethylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 4986521
methyl 4-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzoate
CID 982255
N-[1-(4-methylphenyl)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 55577678
methyl 2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-3-hydroxypropanoate
CID 43405647
methyl (2S)-3-methyl-2-[3-[(4-methylphenyl)sulfonylamino]propylamino]butanoate
CID 126840612
N-(2-aminoethyl)-4-methylbenzenesulfonamide;hydrochloride
CID 42943458
methyl 3-hydroxy-2-[(4-phenylphenyl)sulfonylamino]propanoate
CID 3776760
methyl (2S)-2-[(4-methylphenyl)sulfonylamino]-6-(naphthalen-2-ylsulfonylamino)hexanoate
CID 74225288
methyl 3-hydroxy-2-(3-methylsulfonylpropanoylamino)propanoate
CID 43623416

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-hydroxy-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]propanoate?
The IUPAC name of methyl (2R)-3-hydroxy-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]propanoate (CID 9277760) is methyl (2R)-3-hydroxy-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]propanoate.
What is the SMILES notation for methyl (2R)-3-hydroxy-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]propanoate?
The canonical SMILES for methyl (2R)-3-hydroxy-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]propanoate is COC(=O)[C@@H](CO)NC(=O)CCNS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of methyl (2R)-3-hydroxy-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]propanoate?
The InChIKey is WLZHWBNNAVYESW-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20N2O6S/c1-10-3-5-11(6-4-10)23(20,21)15-8-7-13(18)16-12(9-17)14(19)22-2/h3-6,12,15,17H,7-9H2,1-2H3,(H,16,18)/t12-/m1/s1.
What are the key properties of methyl (2R)-3-hydroxy-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]propanoate?
methyl (2R)-3-hydroxy-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]propanoate has a molecular weight of 344.39 g/mol, XLogP of -0.69, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-hydroxy-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]propanoate is sourced from PubChem (CID 9277760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).