2-[[3-(cyclobutylmethylsulfonylamino)cyclobutyl]-ethylamino]acetic acid

C13H24N2O4S — CID 122070345

IUPAC2-[[3-(cyclobutylmethylsulfonylamino)cyclobutyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NS(=O)(=O)CC2CCC2)C1
InChIInChI=1S/C13H24N2O4S/c1-2-15(8-13(16)17)12-6-11(7-12)14-20(18,19)9-10-4-3-5-10/h10-12,14H,2-9H2,1H3,(H,16,17)
InChIKeyBBXGJPMLAJOJHE-UHFFFAOYSA-N
MW304.41 g/mol
LogP0.64
Rot. Bonds8

About 2-[[3-(cyclobutylmethylsulfonylamino)cyclobutyl]-ethylamino]acetic acid

2-[[3-(cyclobutylmethylsulfonylamino)cyclobutyl]-ethylamino]acetic acid (PubChem CID 122070345) has the molecular formula C13H24N2O4S and a molecular weight of 304.41 g/mol. Its IUPAC name is 2-[[3-(cyclobutylmethylsulfonylamino)cyclobutyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-(cyclobutylmethylsulfonylamino)cyclobutyl]-ethylamino]acetic acid
PubChem CID122070345
Molecular FormulaC13H24N2O4S
Molecular Weight304.41 g/mol
Exact Mass304.15
IUPAC Name2-[[3-(cyclobutylmethylsulfonylamino)cyclobutyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NS(=O)(=O)CC2CCC2)C1
InChIInChI=1S/C13H24N2O4S/c1-2-15(8-13(16)17)12-6-11(7-12)14-20(18,19)9-10-4-3-5-10/h10-12,14H,2-9H2,1H3,(H,16,17)
InChIKeyBBXGJPMLAJOJHE-UHFFFAOYSA-N
XLogP0.64
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(cyclooctylamino)cyclobutyl]-ethylamino]acetic acid
CID 122042803
2-[ethyl-[3-(1,1,1-trifluoropropan-2-ylsulfonylamino)cyclobutyl]amino]acetic acid
CID 122070372
2-[[3-(3-cyclohexylpropylamino)cyclobutyl]-ethylamino]acetic acid
CID 122042436
2-[cyclopropylmethyl-[3-[[cyclopropylmethyl(methyl)sulfamoyl]amino]cyclobutyl]amino]acetic acid
CID 122071838
2-[cyclopropylmethyl-[3-[(2-methoxy-2-methylpropyl)sulfonylamino]cyclobutyl]amino]acetic acid
CID 122071999
2-[ethyl-[3-[[2-(methanesulfonamidomethyl)cyclopentyl]carbamoylamino]cyclobutyl]amino]acetic acid
CID 122013452
2-[cyclopropylmethyl-[3-(4-fluorobutylsulfonylamino)cyclobutyl]amino]acetic acid
CID 122072023
2-[ethyl-[3-[(3-propan-2-ylcyclohexyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122000847
2-[[3-[(3-tert-butylcyclobutyl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122042136
2-[[3-[(3,4-dimethylcyclohexyl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122042518
2-[ethyl-[3-[(3-phenylphenyl)sulfonylamino]cyclobutyl]amino]acetic acid
CID 122070489
2-[ethyl-[3-[(3-propylpiperidine-1-carbonyl)amino]cyclobutyl]amino]acetic acid
CID 122026226

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(cyclobutylmethylsulfonylamino)cyclobutyl]-ethylamino]acetic acid?
The IUPAC name of 2-[[3-(cyclobutylmethylsulfonylamino)cyclobutyl]-ethylamino]acetic acid (CID 122070345) is 2-[[3-(cyclobutylmethylsulfonylamino)cyclobutyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[3-(cyclobutylmethylsulfonylamino)cyclobutyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[3-(cyclobutylmethylsulfonylamino)cyclobutyl]-ethylamino]acetic acid is CCN(CC(=O)O)C1CC(NS(=O)(=O)CC2CCC2)C1.
What is the InChIKey of 2-[[3-(cyclobutylmethylsulfonylamino)cyclobutyl]-ethylamino]acetic acid?
The InChIKey is BBXGJPMLAJOJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4S/c1-2-15(8-13(16)17)12-6-11(7-12)14-20(18,19)9-10-4-3-5-10/h10-12,14H,2-9H2,1H3,(H,16,17).
What are the key properties of 2-[[3-(cyclobutylmethylsulfonylamino)cyclobutyl]-ethylamino]acetic acid?
2-[[3-(cyclobutylmethylsulfonylamino)cyclobutyl]-ethylamino]acetic acid has a molecular weight of 304.41 g/mol, XLogP of 0.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(cyclobutylmethylsulfonylamino)cyclobutyl]-ethylamino]acetic acid is sourced from PubChem (CID 122070345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).