2-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)-methylamino]propanoic acid

C16H22N2O7S — CID 119358783

IUPAC2-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)-methylamino]propanoic acid
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(C)C(C)C(=O)O
InChIInChI=1S/C16H22N2O7S/c1-11(16(20)21)17(2)15(19)13-10-12(4-5-14(13)24-3)26(22,23)18-6-8-25-9-7-18/h4-5,10-11H,6-9H2,1-3H3,(H,20,21)
InChIKeySDRVPHXCTMXUCW-UHFFFAOYSA-N
MW386.43 g/mol
LogP0.26
Rot. Bonds6

About 2-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)-methylamino]propanoic acid

2-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)-methylamino]propanoic acid (PubChem CID 119358783) has the molecular formula C16H22N2O7S and a molecular weight of 386.43 g/mol. Its IUPAC name is 2-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)-methylamino]propanoic acid
PubChem CID119358783
Molecular FormulaC16H22N2O7S
Molecular Weight386.43 g/mol
Exact Mass386.11
IUPAC Name2-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)-methylamino]propanoic acid
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(C)C(C)C(=O)O
InChIInChI=1S/C16H22N2O7S/c1-11(16(20)21)17(2)15(19)13-10-12(4-5-14(13)24-3)26(22,23)18-6-8-25-9-7-18/h4-5,10-11H,6-9H2,1-3H3,(H,20,21)
InChIKeySDRVPHXCTMXUCW-UHFFFAOYSA-N
XLogP0.26
TPSA113.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethylpentan-3-yl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 28591079
N-cyclopentyl-N-ethyl-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 55588122
N-(3-aminobutyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 119496106
5-(azepan-1-ylsulfonyl)-2-methoxy-N,N-dimethylbenzamide
CID 7971089
[(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 2-methoxy-5-morpholin-4-ylsulfonylbenzoate
CID 8991866
N-[1-(4-cyanophenyl)ethyl]-N-ethyl-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 55592925
N-cyclopropyl-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 26736864
2-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5-morpholin-4-ylsulfonylbenzamide
CID 28631613
2-[methyl-(2-morpholin-4-yl-5-sulfamoylbenzoyl)amino]propanoic acid
CID 119358812
(3,5-dimethylpiperidin-1-yl)-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)methanone
CID 51197836
5-(azepan-1-ylsulfonyl)-2-methoxy-N-methyl-N-(2-methylpropyl)benzamide
CID 134005830
N-[2-(ethylamino)ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 119505913

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)-methylamino]propanoic acid?
The IUPAC name of 2-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)-methylamino]propanoic acid (CID 119358783) is 2-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)-methylamino]propanoic acid.
What is the SMILES notation for 2-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)-methylamino]propanoic acid?
The canonical SMILES for 2-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)-methylamino]propanoic acid is COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(C)C(C)C(=O)O.
What is the InChIKey of 2-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)-methylamino]propanoic acid?
The InChIKey is SDRVPHXCTMXUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O7S/c1-11(16(20)21)17(2)15(19)13-10-12(4-5-14(13)24-3)26(22,23)18-6-8-25-9-7-18/h4-5,10-11H,6-9H2,1-3H3,(H,20,21).
What are the key properties of 2-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)-methylamino]propanoic acid?
2-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)-methylamino]propanoic acid has a molecular weight of 386.43 g/mol, XLogP of 0.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)-methylamino]propanoic acid is sourced from PubChem (CID 119358783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).