2-[[3-[(3-cyano-3-methylbutyl)sulfonylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid

C16H27N3O4S — CID 122072017

IUPAC2-[[3-[(3-cyano-3-methylbutyl)sulfonylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
SMILESCC(C)(C#N)CCS(=O)(=O)NC1CC(N(CC(=O)O)CC2CC2)C1
InChIInChI=1S/C16H27N3O4S/c1-16(2,11-17)5-6-24(22,23)18-13-7-14(8-13)19(10-15(20)21)9-12-3-4-12/h12-14,18H,3-10H2,1-2H3,(H,20,21)
InChIKeyKWLDDDCWPYLBSG-UHFFFAOYSA-N
MW357.48 g/mol
LogP1.17
Rot. Bonds10

About 2-[[3-[(3-cyano-3-methylbutyl)sulfonylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid

2-[[3-[(3-cyano-3-methylbutyl)sulfonylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid (PubChem CID 122072017) has the molecular formula C16H27N3O4S and a molecular weight of 357.48 g/mol. Its IUPAC name is 2-[[3-[(3-cyano-3-methylbutyl)sulfonylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[3-[(3-cyano-3-methylbutyl)sulfonylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
PubChem CID122072017
Molecular FormulaC16H27N3O4S
Molecular Weight357.48 g/mol
Exact Mass357.17
IUPAC Name2-[[3-[(3-cyano-3-methylbutyl)sulfonylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
SMILESCC(C)(C#N)CCS(=O)(=O)NC1CC(N(CC(=O)O)CC2CC2)C1
InChIInChI=1S/C16H27N3O4S/c1-16(2,11-17)5-6-24(22,23)18-13-7-14(8-13)19(10-15(20)21)9-12-3-4-12/h12-14,18H,3-10H2,1-2H3,(H,20,21)
InChIKeyKWLDDDCWPYLBSG-UHFFFAOYSA-N
XLogP1.17
TPSA110.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[3-[(3-cyano-3-methylbutyl)sulfonylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[cyclopropylmethyl-[3-[(2-methoxy-2-methylpropyl)sulfonylamino]cyclobutyl]amino]acetic acid
CID 122071999
2-[cyclopropylmethyl-[3-(4-fluorobutylsulfonylamino)cyclobutyl]amino]acetic acid
CID 122072023
2-[[3-[[1-(cyanomethyl)cyclopropyl]methylsulfonylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 122072029
2-[cyclopropylmethyl-[3-[[cyclopropylmethyl(methyl)sulfamoyl]amino]cyclobutyl]amino]acetic acid
CID 122071838
2-[cyclopropylmethyl-[3-(1,1,1-trifluoropropan-2-ylsulfonylamino)cyclobutyl]amino]acetic acid
CID 122071918
2-[(5-cyano-5-methylhexyl)-(cyclopropylmethyl)amino]acetic acid
CID 106713165
2-[cyclopropylmethyl-[3-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]cyclobutyl]amino]acetic acid
CID 122071742
2-[cyclopropylmethyl-[3-[(3-fluoro-2-methylphenyl)sulfonylamino]cyclobutyl]amino]acetic acid
CID 122071868
2-[cyclopropylmethyl-[3-[(4-methylthiophen-2-yl)sulfonylamino]cyclobutyl]amino]acetic acid
CID 122072051
2-[cyclopropylmethyl-[3-[(2,5-difluorophenyl)sulfonylamino]cyclobutyl]amino]acetic acid
CID 122071751
2-[cyclopropylmethyl-[3-[(4-propan-2-ylphenyl)sulfonylamino]cyclobutyl]amino]acetic acid
CID 122071721
2-[[3-(cyclobutylmethylsulfonylamino)cyclobutyl]-ethylamino]acetic acid
CID 122070345

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(3-cyano-3-methylbutyl)sulfonylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid?
The IUPAC name of 2-[[3-[(3-cyano-3-methylbutyl)sulfonylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid (CID 122072017) is 2-[[3-[(3-cyano-3-methylbutyl)sulfonylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[[3-[(3-cyano-3-methylbutyl)sulfonylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid?
The canonical SMILES for 2-[[3-[(3-cyano-3-methylbutyl)sulfonylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid is CC(C)(C#N)CCS(=O)(=O)NC1CC(N(CC(=O)O)CC2CC2)C1.
What is the InChIKey of 2-[[3-[(3-cyano-3-methylbutyl)sulfonylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid?
The InChIKey is KWLDDDCWPYLBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O4S/c1-16(2,11-17)5-6-24(22,23)18-13-7-14(8-13)19(10-15(20)21)9-12-3-4-12/h12-14,18H,3-10H2,1-2H3,(H,20,21).
What are the key properties of 2-[[3-[(3-cyano-3-methylbutyl)sulfonylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid?
2-[[3-[(3-cyano-3-methylbutyl)sulfonylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid has a molecular weight of 357.48 g/mol, XLogP of 1.17, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(3-cyano-3-methylbutyl)sulfonylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid is sourced from PubChem (CID 122072017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).