2-[cyclopropylmethyl-[3-[(2-methoxy-2-methylpropyl)sulfonylamino]cyclobutyl]amino]acetic acid

C15H28N2O5S — CID 122071999

IUPAC2-[cyclopropylmethyl-[3-[(2-methoxy-2-methylpropyl)sulfonylamino]cyclobutyl]amino]acetic acid
SMILESCOC(C)(C)CS(=O)(=O)NC1CC(N(CC(=O)O)CC2CC2)C1
InChIInChI=1S/C15H28N2O5S/c1-15(2,22-3)10-23(20,21)16-12-6-13(7-12)17(9-14(18)19)8-11-4-5-11/h11-13,16H,4-10H2,1-3H3,(H,18,19)
InChIKeyCNJWWYWBRQQOAL-UHFFFAOYSA-N
MW348.47 g/mol
LogP0.66
Rot. Bonds10

About 2-[cyclopropylmethyl-[3-[(2-methoxy-2-methylpropyl)sulfonylamino]cyclobutyl]amino]acetic acid

2-[cyclopropylmethyl-[3-[(2-methoxy-2-methylpropyl)sulfonylamino]cyclobutyl]amino]acetic acid (PubChem CID 122071999) has the molecular formula C15H28N2O5S and a molecular weight of 348.47 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[3-[(2-methoxy-2-methylpropyl)sulfonylamino]cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[3-[(2-methoxy-2-methylpropyl)sulfonylamino]cyclobutyl]amino]acetic acid
PubChem CID122071999
Molecular FormulaC15H28N2O5S
Molecular Weight348.47 g/mol
Exact Mass348.17
IUPAC Name2-[cyclopropylmethyl-[3-[(2-methoxy-2-methylpropyl)sulfonylamino]cyclobutyl]amino]acetic acid
SMILESCOC(C)(C)CS(=O)(=O)NC1CC(N(CC(=O)O)CC2CC2)C1
InChIInChI=1S/C15H28N2O5S/c1-15(2,22-3)10-23(20,21)16-12-6-13(7-12)17(9-14(18)19)8-11-4-5-11/h11-13,16H,4-10H2,1-3H3,(H,18,19)
InChIKeyCNJWWYWBRQQOAL-UHFFFAOYSA-N
XLogP0.66
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[[3-[(3-cyano-3-methylbutyl)sulfonylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 122072017
2-[cyclopropylmethyl-[3-(1,1,1-trifluoropropan-2-ylsulfonylamino)cyclobutyl]amino]acetic acid
CID 122071918
2-[cyclopropylmethyl-[3-[[cyclopropylmethyl(methyl)sulfamoyl]amino]cyclobutyl]amino]acetic acid
CID 122071838
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-[[(2S)-3-methoxy-2-methylpropanoyl]amino]cyclobutyl]amino]acetic acid
CID 129334460
2-[cyclopropylmethyl-[3-[(2-methoxy-5-methylphenyl)sulfonylamino]cyclobutyl]amino]acetic acid
CID 122071896
2-[cyclopropylmethyl-[3-[(4-propan-2-ylcyclohexyl)amino]cyclobutyl]amino]acetic acid
CID 122041857
2-[cyclopropylmethyl-[3-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]cyclobutyl]amino]acetic acid
CID 122071742
2-[cyclopropylmethyl-[3-[(4-propan-2-ylphenyl)sulfonylamino]cyclobutyl]amino]acetic acid
CID 122071721
2-[[3-[[1-(cyanomethyl)cyclopropyl]methylsulfonylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 122072029
2-[cyclopropylmethyl-(3-methoxycyclobutyl)amino]acetic acid
CID 106824276

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[3-[(2-methoxy-2-methylpropyl)sulfonylamino]cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[3-[(2-methoxy-2-methylpropyl)sulfonylamino]cyclobutyl]amino]acetic acid (CID 122071999) is 2-[cyclopropylmethyl-[3-[(2-methoxy-2-methylpropyl)sulfonylamino]cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[3-[(2-methoxy-2-methylpropyl)sulfonylamino]cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[3-[(2-methoxy-2-methylpropyl)sulfonylamino]cyclobutyl]amino]acetic acid is COC(C)(C)CS(=O)(=O)NC1CC(N(CC(=O)O)CC2CC2)C1.
What is the InChIKey of 2-[cyclopropylmethyl-[3-[(2-methoxy-2-methylpropyl)sulfonylamino]cyclobutyl]amino]acetic acid?
The InChIKey is CNJWWYWBRQQOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O5S/c1-15(2,22-3)10-23(20,21)16-12-6-13(7-12)17(9-14(18)19)8-11-4-5-11/h11-13,16H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 2-[cyclopropylmethyl-[3-[(2-methoxy-2-methylpropyl)sulfonylamino]cyclobutyl]amino]acetic acid?
2-[cyclopropylmethyl-[3-[(2-methoxy-2-methylpropyl)sulfonylamino]cyclobutyl]amino]acetic acid has a molecular weight of 348.47 g/mol, XLogP of 0.66, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[3-[(2-methoxy-2-methylpropyl)sulfonylamino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122071999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).