2-[[2-(benzylamino)-2-oxoethyl]sulfamoyl]propanoic acid

C12H16N2O5S — CID 61458090

IUPAC2-[[2-(benzylamino)-2-oxoethyl]sulfamoyl]propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)NCC(=O)NCc1ccccc1
InChIInChI=1S/C12H16N2O5S/c1-9(12(16)17)20(18,19)14-8-11(15)13-7-10-5-3-2-4-6-10/h2-6,9,14H,7-8H2,1H3,(H,13,15)(H,16,17)
InChIKeyBQSYPGNPJFHSFB-UHFFFAOYSA-N
MW300.34 g/mol
LogP-0.30
Rot. Bonds7

About 2-[[2-(benzylamino)-2-oxoethyl]sulfamoyl]propanoic acid

2-[[2-(benzylamino)-2-oxoethyl]sulfamoyl]propanoic acid (PubChem CID 61458090) has the molecular formula C12H16N2O5S and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-[[2-(benzylamino)-2-oxoethyl]sulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[[2-(benzylamino)-2-oxoethyl]sulfamoyl]propanoic acid
PubChem CID61458090
Molecular FormulaC12H16N2O5S
Molecular Weight300.34 g/mol
Exact Mass300.08
IUPAC Name2-[[2-(benzylamino)-2-oxoethyl]sulfamoyl]propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)NCC(=O)NCc1ccccc1
InChIInChI=1S/C12H16N2O5S/c1-9(12(16)17)20(18,19)14-8-11(15)13-7-10-5-3-2-4-6-10/h2-6,9,14H,7-8H2,1H3,(H,13,15)(H,16,17)
InChIKeyBQSYPGNPJFHSFB-UHFFFAOYSA-N
XLogP-0.30
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(benzenesulfonamido)acetyl]amino]-N-benzylacetamide
CID 5073873
2-[(2-hydroxyphenyl)methylsulfamoyl]propanoic acid
CID 114331355
N-benzyl-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8917782
3-[[2-(benzylamino)-2-oxoethyl]amino]butanoic acid
CID 54881576
5-(benzylamino)-2-methyl-5-oxopentanoic acid
CID 112515547
2-[[2-(benzylamino)-2-oxoethyl]amino]propanamide
CID 43545529
N-benzyl-2-hydrazinylacetamide
CID 15514349
N-benzyl-2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]acetamide
CID 60971680
N-benzyl-2-[(3-hydroxy-2-methylpropyl)amino]acetamide
CID 65036205
N-benzyl-2-[(4-hydroxy-3-methylbutan-2-yl)amino]acetamide
CID 104696422
N-benzyl-2-(methoxyamino)acetamide
CID 60702706
N-benzyl-2-(2-phenylethylamino)acetamide
CID 28829660

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(benzylamino)-2-oxoethyl]sulfamoyl]propanoic acid?
The IUPAC name of 2-[[2-(benzylamino)-2-oxoethyl]sulfamoyl]propanoic acid (CID 61458090) is 2-[[2-(benzylamino)-2-oxoethyl]sulfamoyl]propanoic acid.
What is the SMILES notation for 2-[[2-(benzylamino)-2-oxoethyl]sulfamoyl]propanoic acid?
The canonical SMILES for 2-[[2-(benzylamino)-2-oxoethyl]sulfamoyl]propanoic acid is CC(C(=O)O)S(=O)(=O)NCC(=O)NCc1ccccc1.
What is the InChIKey of 2-[[2-(benzylamino)-2-oxoethyl]sulfamoyl]propanoic acid?
The InChIKey is BQSYPGNPJFHSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5S/c1-9(12(16)17)20(18,19)14-8-11(15)13-7-10-5-3-2-4-6-10/h2-6,9,14H,7-8H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 2-[[2-(benzylamino)-2-oxoethyl]sulfamoyl]propanoic acid?
2-[[2-(benzylamino)-2-oxoethyl]sulfamoyl]propanoic acid has a molecular weight of 300.34 g/mol, XLogP of -0.30, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(benzylamino)-2-oxoethyl]sulfamoyl]propanoic acid is sourced from PubChem (CID 61458090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).