2-[cyclopropylmethyl-[3-[[cyclopropylmethyl(methyl)sulfamoyl]amino]cyclobutyl]amino]acetic acid

C15H27N3O4S — CID 122071838

IUPAC2-[cyclopropylmethyl-[3-[[cyclopropylmethyl(methyl)sulfamoyl]amino]cyclobutyl]amino]acetic acid
SMILESCN(CC1CC1)S(=O)(=O)NC1CC(N(CC(=O)O)CC2CC2)C1
InChIInChI=1S/C15H27N3O4S/c1-17(8-11-2-3-11)23(21,22)16-13-6-14(7-13)18(10-15(19)20)9-12-4-5-12/h11-14,16H,2-10H2,1H3,(H,19,20)
InChIKeyBTOSDPLFWLXYNW-UHFFFAOYSA-N
MW345.47 g/mol
LogP0.49
Rot. Bonds10

About 2-[cyclopropylmethyl-[3-[[cyclopropylmethyl(methyl)sulfamoyl]amino]cyclobutyl]amino]acetic acid

2-[cyclopropylmethyl-[3-[[cyclopropylmethyl(methyl)sulfamoyl]amino]cyclobutyl]amino]acetic acid (PubChem CID 122071838) has the molecular formula C15H27N3O4S and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[3-[[cyclopropylmethyl(methyl)sulfamoyl]amino]cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[3-[[cyclopropylmethyl(methyl)sulfamoyl]amino]cyclobutyl]amino]acetic acid
PubChem CID122071838
Molecular FormulaC15H27N3O4S
Molecular Weight345.47 g/mol
Exact Mass345.17
IUPAC Name2-[cyclopropylmethyl-[3-[[cyclopropylmethyl(methyl)sulfamoyl]amino]cyclobutyl]amino]acetic acid
SMILESCN(CC1CC1)S(=O)(=O)NC1CC(N(CC(=O)O)CC2CC2)C1
InChIInChI=1S/C15H27N3O4S/c1-17(8-11-2-3-11)23(21,22)16-13-6-14(7-13)18(10-15(19)20)9-12-4-5-12/h11-14,16H,2-10H2,1H3,(H,19,20)
InChIKeyBTOSDPLFWLXYNW-UHFFFAOYSA-N
XLogP0.49
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropylmethyl-[3-(1,1,1-trifluoropropan-2-ylsulfonylamino)cyclobutyl]amino]acetic acid
CID 122071918
2-[cyclopropylmethyl-[3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclobutyl]amino]acetic acid
CID 122071854
2-[cyclopropylmethyl-[3-[(2-methoxy-2-methylpropyl)sulfonylamino]cyclobutyl]amino]acetic acid
CID 122071999
2-[cyclopropylmethyl-[3-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]cyclobutyl]amino]acetic acid
CID 122071742
2-[cyclopropylmethyl-[3-(4-fluorobutylsulfonylamino)cyclobutyl]amino]acetic acid
CID 122072023
2-[[3-(1-cyclopropylethylamino)cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 122041603
2-[cyclopropylmethyl-[3-[(2-methylpiperidin-1-yl)sulfonylamino]cyclobutyl]amino]acetic acid
CID 122071800
2-[cyclopropylmethyl-(3-methylcyclobutyl)amino]acetic acid
CID 103565060
2-[cyclopropylmethyl-[3-[(4-methylthiophen-2-yl)sulfonylamino]cyclobutyl]amino]acetic acid
CID 122072051
2-[[3-[(3-cyano-3-methylbutyl)sulfonylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 122072017
2-[cyclopropylmethyl-[3-[(4-propan-2-ylphenyl)sulfonylamino]cyclobutyl]amino]acetic acid
CID 122071721
2-[cyclopropylmethyl-(3,5-dimethylcyclohexyl)amino]acetic acid
CID 64728458

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[3-[[cyclopropylmethyl(methyl)sulfamoyl]amino]cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[3-[[cyclopropylmethyl(methyl)sulfamoyl]amino]cyclobutyl]amino]acetic acid (CID 122071838) is 2-[cyclopropylmethyl-[3-[[cyclopropylmethyl(methyl)sulfamoyl]amino]cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[3-[[cyclopropylmethyl(methyl)sulfamoyl]amino]cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[3-[[cyclopropylmethyl(methyl)sulfamoyl]amino]cyclobutyl]amino]acetic acid is CN(CC1CC1)S(=O)(=O)NC1CC(N(CC(=O)O)CC2CC2)C1.
What is the InChIKey of 2-[cyclopropylmethyl-[3-[[cyclopropylmethyl(methyl)sulfamoyl]amino]cyclobutyl]amino]acetic acid?
The InChIKey is BTOSDPLFWLXYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O4S/c1-17(8-11-2-3-11)23(21,22)16-13-6-14(7-13)18(10-15(19)20)9-12-4-5-12/h11-14,16H,2-10H2,1H3,(H,19,20).
What are the key properties of 2-[cyclopropylmethyl-[3-[[cyclopropylmethyl(methyl)sulfamoyl]amino]cyclobutyl]amino]acetic acid?
2-[cyclopropylmethyl-[3-[[cyclopropylmethyl(methyl)sulfamoyl]amino]cyclobutyl]amino]acetic acid has a molecular weight of 345.47 g/mol, XLogP of 0.49, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[3-[[cyclopropylmethyl(methyl)sulfamoyl]amino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122071838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).