3-[[3-(aminomethyl)phenyl]sulfamoyl]propanoic acid

C10H14N2O4S — CID 63254571

IUPAC3-[[3-(aminomethyl)phenyl]sulfamoyl]propanoic acid
SMILESNCc1cccc(NS(=O)(=O)CCC(=O)O)c1
InChIInChI=1S/C10H14N2O4S/c11-7-8-2-1-3-9(6-8)12-17(15,16)5-4-10(13)14/h1-3,6,12H,4-5,7,11H2,(H,13,14)
InChIKeyWGRQKYSCZYIPAL-UHFFFAOYSA-N
MW258.30 g/mol
LogP0.36
Rot. Bonds6

About 3-[[3-(aminomethyl)phenyl]sulfamoyl]propanoic acid

3-[[3-(aminomethyl)phenyl]sulfamoyl]propanoic acid (PubChem CID 63254571) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is 3-[[3-(aminomethyl)phenyl]sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[[3-(aminomethyl)phenyl]sulfamoyl]propanoic acid
PubChem CID63254571
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Name3-[[3-(aminomethyl)phenyl]sulfamoyl]propanoic acid
SMILESNCc1cccc(NS(=O)(=O)CCC(=O)O)c1
InChIInChI=1S/C10H14N2O4S/c11-7-8-2-1-3-9(6-8)12-17(15,16)5-4-10(13)14/h1-3,6,12H,4-5,7,11H2,(H,13,14)
InChIKeyWGRQKYSCZYIPAL-UHFFFAOYSA-N
XLogP0.36
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(aminomethyl)anilino]-4-oxobutanoic acid
CID 110481799
3-[[3-(dimethylsulfamoyl)phenyl]sulfamoyl]propanoic acid
CID 43361776
N-[3-(aminomethyl)phenyl]methanesulfonamide
CID 10495443
2-[[3-(hydroxymethyl)phenyl]sulfamoyl]acetic acid
CID 43712124
3-[[3-[(2-methoxyacetyl)amino]phenyl]sulfamoyl]propanoic acid
CID 43711796
2-[(3-ethylphenyl)sulfamoyl]acetic acid
CID 28773818
3-[3-(prop-2-enylsulfonylamino)phenyl]propanoic acid
CID 115339509
3-[[4-(2-amino-2-oxoethyl)phenyl]sulfamoyl]propanoic acid
CID 43714343
3-[[3-(tetrazol-1-yl)phenyl]sulfamoyl]propanoic acid
CID 43705672
4-[(3-acetylphenyl)sulfamoyl]butanoic acid
CID 28513930
2-chloro-N-[3-(hydroxymethyl)phenyl]ethanesulfonamide
CID 107651406
3-[(3,4-dicyanophenyl)sulfamoyl]propanoic acid
CID 114001558

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(aminomethyl)phenyl]sulfamoyl]propanoic acid?
The IUPAC name of 3-[[3-(aminomethyl)phenyl]sulfamoyl]propanoic acid (CID 63254571) is 3-[[3-(aminomethyl)phenyl]sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[[3-(aminomethyl)phenyl]sulfamoyl]propanoic acid?
The canonical SMILES for 3-[[3-(aminomethyl)phenyl]sulfamoyl]propanoic acid is NCc1cccc(NS(=O)(=O)CCC(=O)O)c1.
What is the InChIKey of 3-[[3-(aminomethyl)phenyl]sulfamoyl]propanoic acid?
The InChIKey is WGRQKYSCZYIPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c11-7-8-2-1-3-9(6-8)12-17(15,16)5-4-10(13)14/h1-3,6,12H,4-5,7,11H2,(H,13,14).
What are the key properties of 3-[[3-(aminomethyl)phenyl]sulfamoyl]propanoic acid?
3-[[3-(aminomethyl)phenyl]sulfamoyl]propanoic acid has a molecular weight of 258.30 g/mol, XLogP of 0.36, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(aminomethyl)phenyl]sulfamoyl]propanoic acid is sourced from PubChem (CID 63254571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).