methyl 3-amino-2-[(4-methoxyphenyl)sulfonylamino]propanoate

C11H16N2O5S — CID 57153558

IUPACmethyl 3-amino-2-[(4-methoxyphenyl)sulfonylamino]propanoate
SMILESCOC(=O)C(CN)NS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C11H16N2O5S/c1-17-8-3-5-9(6-4-8)19(15,16)13-10(7-12)11(14)18-2/h3-6,10,13H,7,12H2,1-2H3
InChIKeyTVKRHNDMIKRDAD-UHFFFAOYSA-N
MW288.33 g/mol
LogP-0.53
Rot. Bonds6

About methyl 3-amino-2-[(4-methoxyphenyl)sulfonylamino]propanoate

methyl 3-amino-2-[(4-methoxyphenyl)sulfonylamino]propanoate (PubChem CID 57153558) has the molecular formula C11H16N2O5S and a molecular weight of 288.33 g/mol. Its IUPAC name is methyl 3-amino-2-[(4-methoxyphenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-amino-2-[(4-methoxyphenyl)sulfonylamino]propanoate
PubChem CID57153558
Molecular FormulaC11H16N2O5S
Molecular Weight288.33 g/mol
Exact Mass288.08
IUPAC Namemethyl 3-amino-2-[(4-methoxyphenyl)sulfonylamino]propanoate
SMILESCOC(=O)C(CN)NS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C11H16N2O5S/c1-17-8-3-5-9(6-4-8)19(15,16)13-10(7-12)11(14)18-2/h3-6,10,13H,7,12H2,1-2H3
InChIKeyTVKRHNDMIKRDAD-UHFFFAOYSA-N
XLogP-0.53
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 2496939
methyl 2-[(4-methoxyphenyl)sulfonylamino]-5-sulfanylpentanoate
CID 57142661
methyl 3-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 5010476
N-(1-aminopropan-2-yl)-4-methoxybenzenesulfonamide
CID 61123975
(2R)-2-[(4-methoxyphenyl)sulfonylamino]butanoic acid
CID 773559
methyl 2-[[4-[2-(4-methoxyphenyl)ethynyl]phenyl]sulfonylamino]pent-4-ynoate
CID 10524866
methyl (2R,3S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanoate
CID 50906677
(2R)-6-amino-N-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]hexanamide
CID 20646766
methyl 2-[(4-methoxyphenyl)sulfonylamino]-4-morpholin-4-ylbutanoate
CID 22907030
(2R)-4-fluoro-2-[(4-methoxyphenyl)sulfonylamino]pent-4-enoic acid
CID 89120204
methyl 2-[[4-(2-methoxyethoxy)phenyl]sulfonylamino]butanoate
CID 71858268
3-amino-2-[(4-butoxyphenyl)sulfonylamino]propanoic acid
CID 54072667

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2-[(4-methoxyphenyl)sulfonylamino]propanoate?
The IUPAC name of methyl 3-amino-2-[(4-methoxyphenyl)sulfonylamino]propanoate (CID 57153558) is methyl 3-amino-2-[(4-methoxyphenyl)sulfonylamino]propanoate.
What is the SMILES notation for methyl 3-amino-2-[(4-methoxyphenyl)sulfonylamino]propanoate?
The canonical SMILES for methyl 3-amino-2-[(4-methoxyphenyl)sulfonylamino]propanoate is COC(=O)C(CN)NS(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of methyl 3-amino-2-[(4-methoxyphenyl)sulfonylamino]propanoate?
The InChIKey is TVKRHNDMIKRDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S/c1-17-8-3-5-9(6-4-8)19(15,16)13-10(7-12)11(14)18-2/h3-6,10,13H,7,12H2,1-2H3.
What are the key properties of methyl 3-amino-2-[(4-methoxyphenyl)sulfonylamino]propanoate?
methyl 3-amino-2-[(4-methoxyphenyl)sulfonylamino]propanoate has a molecular weight of 288.33 g/mol, XLogP of -0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2-[(4-methoxyphenyl)sulfonylamino]propanoate is sourced from PubChem (CID 57153558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).