1-[[2-(benzenesulfonamido)acetyl]amino]cyclobutane-1-carboxylic acid

C13H16N2O5S — CID 81163965

IUPAC1-[[2-(benzenesulfonamido)acetyl]amino]cyclobutane-1-carboxylic acid
SMILESO=C(CNS(=O)(=O)c1ccccc1)NC1(C(=O)O)CCC1
InChIInChI=1S/C13H16N2O5S/c16-11(15-13(12(17)18)7-4-8-13)9-14-21(19,20)10-5-2-1-3-6-10/h1-3,5-6,14H,4,7-9H2,(H,15,16)(H,17,18)
InChIKeyMOSDSKNZLFNKFP-UHFFFAOYSA-N
MW312.35 g/mol
LogP0.09
Rot. Bonds6

About 1-[[2-(benzenesulfonamido)acetyl]amino]cyclobutane-1-carboxylic acid

1-[[2-(benzenesulfonamido)acetyl]amino]cyclobutane-1-carboxylic acid (PubChem CID 81163965) has the molecular formula C13H16N2O5S and a molecular weight of 312.35 g/mol. Its IUPAC name is 1-[[2-(benzenesulfonamido)acetyl]amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(benzenesulfonamido)acetyl]amino]cyclobutane-1-carboxylic acid
PubChem CID81163965
Molecular FormulaC13H16N2O5S
Molecular Weight312.35 g/mol
Exact Mass312.08
IUPAC Name1-[[2-(benzenesulfonamido)acetyl]amino]cyclobutane-1-carboxylic acid
SMILESO=C(CNS(=O)(=O)c1ccccc1)NC1(C(=O)O)CCC1
InChIInChI=1S/C13H16N2O5S/c16-11(15-13(12(17)18)7-4-8-13)9-14-21(19,20)10-5-2-1-3-6-10/h1-3,5-6,14H,4,7-9H2,(H,15,16)(H,17,18)
InChIKeyMOSDSKNZLFNKFP-UHFFFAOYSA-N
XLogP0.09
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonamidomethyl)cyclobutane-1-carboxylic acid
CID 113311051
1-[[2-[(2-phenylacetyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid
CID 119176363
1-[[2-(3-ethylsulfonylphenyl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 120531000
1-[4-[[2-(methylamino)-2-oxoethyl]sulfamoyl]phenyl]cyclopropane-1-carboxylic acid
CID 115914236
2-[[2-(benzenesulfonamido)acetyl]amino]oxyacetic acid
CID 63914257
1-[(2-benzamidoacetyl)amino]cyclopropane-1-carboxylic acid
CID 65450960
1-[(2-benzylsulfanylacetyl)amino]cyclobutane-1-carboxylic acid
CID 81158714
2-[[2-(benzenesulfonamido)acetyl]amino]-N-benzylacetamide
CID 5073873
1-[[2-[(2-phenoxyacetyl)amino]acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538943
1-[[2-(thiophene-2-carbonylamino)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81158878
1-(4-phenoxybutanoylamino)cyclobutane-1-carboxylic acid
CID 81164463
1-[(2-naphthalen-2-ylacetyl)amino]cyclobutane-1-carboxylic acid
CID 81164008

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(benzenesulfonamido)acetyl]amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[2-(benzenesulfonamido)acetyl]amino]cyclobutane-1-carboxylic acid (CID 81163965) is 1-[[2-(benzenesulfonamido)acetyl]amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(benzenesulfonamido)acetyl]amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(benzenesulfonamido)acetyl]amino]cyclobutane-1-carboxylic acid is O=C(CNS(=O)(=O)c1ccccc1)NC1(C(=O)O)CCC1.
What is the InChIKey of 1-[[2-(benzenesulfonamido)acetyl]amino]cyclobutane-1-carboxylic acid?
The InChIKey is MOSDSKNZLFNKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5S/c16-11(15-13(12(17)18)7-4-8-13)9-14-21(19,20)10-5-2-1-3-6-10/h1-3,5-6,14H,4,7-9H2,(H,15,16)(H,17,18).
What are the key properties of 1-[[2-(benzenesulfonamido)acetyl]amino]cyclobutane-1-carboxylic acid?
1-[[2-(benzenesulfonamido)acetyl]amino]cyclobutane-1-carboxylic acid has a molecular weight of 312.35 g/mol, XLogP of 0.09, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(benzenesulfonamido)acetyl]amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81163965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).