2-[[3-(sulfamoylmethyl)benzoyl]amino]propanoic acid

C11H14N2O5S — CID 119225711

IUPAC2-[[3-(sulfamoylmethyl)benzoyl]amino]propanoic acid
SMILESCC(NC(=O)c1cccc(CS(N)(=O)=O)c1)C(=O)O
InChIInChI=1S/C11H14N2O5S/c1-7(11(15)16)13-10(14)9-4-2-3-8(5-9)6-19(12,17)18/h2-5,7H,6H2,1H3,(H,13,14)(H,15,16)(H2,12,17,18)
InChIKeyAZBWBYLVAMHDOH-UHFFFAOYSA-N
MW286.31 g/mol
LogP-0.32
Rot. Bonds5

About 2-[[3-(sulfamoylmethyl)benzoyl]amino]propanoic acid

2-[[3-(sulfamoylmethyl)benzoyl]amino]propanoic acid (PubChem CID 119225711) has the molecular formula C11H14N2O5S and a molecular weight of 286.31 g/mol. Its IUPAC name is 2-[[3-(sulfamoylmethyl)benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[3-(sulfamoylmethyl)benzoyl]amino]propanoic acid
PubChem CID119225711
Molecular FormulaC11H14N2O5S
Molecular Weight286.31 g/mol
Exact Mass286.06
IUPAC Name2-[[3-(sulfamoylmethyl)benzoyl]amino]propanoic acid
SMILESCC(NC(=O)c1cccc(CS(N)(=O)=O)c1)C(=O)O
InChIInChI=1S/C11H14N2O5S/c1-7(11(15)16)13-10(14)9-4-2-3-8(5-9)6-19(12,17)18/h2-5,7H,6H2,1H3,(H,13,14)(H,15,16)(H2,12,17,18)
InChIKeyAZBWBYLVAMHDOH-UHFFFAOYSA-N
XLogP-0.32
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[3-[[(1S)-1-carboxyethyl]carbamoyl]benzoyl]amino]propanoic acid
CID 40571628
2-[[3-(methoxymethyl)benzoyl]amino]propanoic acid
CID 43170851
2-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]propanoic acid
CID 82043303
(2R)-2-[(3-hydroxybenzoyl)amino]propanoic acid
CID 20848017
4-methyl-4-[[3-(sulfamoylmethyl)benzoyl]amino]pentanoic acid
CID 119204515
5-[[3-(sulfamoylmethyl)benzoyl]amino]pentanoic acid
CID 119235172
(2S)-2-[[3-[[3-[[(1S)-1-carboxyethyl]carbamoyl]phenyl]diazenyl]benzoyl]amino]propanoic acid
CID 102421825
(2S)-2-[(3-methoxybenzoyl)amino]propanoic acid
CID 42254442
(2R)-2-[[3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoyl]amino]propanoic acid
CID 119370008
N-(1-amino-1-oxopropan-2-yl)-3-(methoxymethyl)benzamide
CID 134045690
2-[[4-(1-carboxyethylcarbamoyl)benzoyl]amino]propanoic acid
CID 4130949
(2R)-2-[[4-[[(1R)-1-carboxyethyl]carbamoyl]benzoyl]amino]propanoic acid
CID 40571784

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(sulfamoylmethyl)benzoyl]amino]propanoic acid?
The IUPAC name of 2-[[3-(sulfamoylmethyl)benzoyl]amino]propanoic acid (CID 119225711) is 2-[[3-(sulfamoylmethyl)benzoyl]amino]propanoic acid.
What is the SMILES notation for 2-[[3-(sulfamoylmethyl)benzoyl]amino]propanoic acid?
The canonical SMILES for 2-[[3-(sulfamoylmethyl)benzoyl]amino]propanoic acid is CC(NC(=O)c1cccc(CS(N)(=O)=O)c1)C(=O)O.
What is the InChIKey of 2-[[3-(sulfamoylmethyl)benzoyl]amino]propanoic acid?
The InChIKey is AZBWBYLVAMHDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5S/c1-7(11(15)16)13-10(14)9-4-2-3-8(5-9)6-19(12,17)18/h2-5,7H,6H2,1H3,(H,13,14)(H,15,16)(H2,12,17,18).
What are the key properties of 2-[[3-(sulfamoylmethyl)benzoyl]amino]propanoic acid?
2-[[3-(sulfamoylmethyl)benzoyl]amino]propanoic acid has a molecular weight of 286.31 g/mol, XLogP of -0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(sulfamoylmethyl)benzoyl]amino]propanoic acid is sourced from PubChem (CID 119225711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).