2-[cyclopropylmethyl-[3-[(2,5-difluorophenyl)sulfonylamino]cyclobutyl]amino]acetic acid

C16H20F2N2O4S — CID 122071751

IUPAC2-[cyclopropylmethyl-[3-[(2,5-difluorophenyl)sulfonylamino]cyclobutyl]amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C1CC(NS(=O)(=O)c2cc(F)ccc2F)C1
InChIInChI=1S/C16H20F2N2O4S/c17-11-3-4-14(18)15(5-11)25(23,24)19-12-6-13(7-12)20(9-16(21)22)8-10-1-2-10/h3-5,10,12-13,19H,1-2,6-9H2,(H,21,22)
InChIKeyGBVMWGZECPNWGK-UHFFFAOYSA-N
MW374.41 g/mol
LogP1.57
Rot. Bonds8

About 2-[cyclopropylmethyl-[3-[(2,5-difluorophenyl)sulfonylamino]cyclobutyl]amino]acetic acid

2-[cyclopropylmethyl-[3-[(2,5-difluorophenyl)sulfonylamino]cyclobutyl]amino]acetic acid (PubChem CID 122071751) has the molecular formula C16H20F2N2O4S and a molecular weight of 374.41 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[3-[(2,5-difluorophenyl)sulfonylamino]cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[3-[(2,5-difluorophenyl)sulfonylamino]cyclobutyl]amino]acetic acid
PubChem CID122071751
Molecular FormulaC16H20F2N2O4S
Molecular Weight374.41 g/mol
Exact Mass374.11
IUPAC Name2-[cyclopropylmethyl-[3-[(2,5-difluorophenyl)sulfonylamino]cyclobutyl]amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C1CC(NS(=O)(=O)c2cc(F)ccc2F)C1
InChIInChI=1S/C16H20F2N2O4S/c17-11-3-4-14(18)15(5-11)25(23,24)19-12-6-13(7-12)20(9-16(21)22)8-10-1-2-10/h3-5,10,12-13,19H,1-2,6-9H2,(H,21,22)
InChIKeyGBVMWGZECPNWGK-UHFFFAOYSA-N
XLogP1.57
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-[(2-chloro-4-fluorophenyl)sulfonylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 122071775
2-[cyclopropylmethyl-[3-[(3-fluoro-2-methylphenyl)sulfonylamino]cyclobutyl]amino]acetic acid
CID 122071868
2-[cyclopropylmethyl-[3-[(2-methoxy-5-methylphenyl)sulfonylamino]cyclobutyl]amino]acetic acid
CID 122071896
2-[cyclopropylmethyl-[3-(thiophen-3-ylsulfonylamino)cyclobutyl]amino]acetic acid
CID 122072028
2-[cyclopropylmethyl-[3-[(4-methylthiophen-2-yl)sulfonylamino]cyclobutyl]amino]acetic acid
CID 122072051
2-[cyclopropylmethyl-[3-[(4-propan-2-ylphenyl)sulfonylamino]cyclobutyl]amino]acetic acid
CID 122071721
2-[cyclopropylmethyl-[3-[(4-ethoxyphenyl)sulfonylamino]cyclobutyl]amino]acetic acid
CID 122071739
2-[cyclopropylmethyl-[3-[(3-methyl-4-nitrophenyl)sulfonylamino]cyclobutyl]amino]acetic acid
CID 122071861
2-[cyclopropylmethyl-[3-[(7-fluoroisoquinolin-1-yl)amino]cyclobutyl]amino]acetic acid
CID 122061484
2-[cyclopropylmethyl-[3-[[cyclopropylmethyl(methyl)sulfamoyl]amino]cyclobutyl]amino]acetic acid
CID 122071838
2-[[3-[(4-chloro-2-fluorophenyl)carbamoylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 122073782
2-[cyclopropylmethyl-[3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclobutyl]amino]acetic acid
CID 122071854

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[3-[(2,5-difluorophenyl)sulfonylamino]cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[3-[(2,5-difluorophenyl)sulfonylamino]cyclobutyl]amino]acetic acid (CID 122071751) is 2-[cyclopropylmethyl-[3-[(2,5-difluorophenyl)sulfonylamino]cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[3-[(2,5-difluorophenyl)sulfonylamino]cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[3-[(2,5-difluorophenyl)sulfonylamino]cyclobutyl]amino]acetic acid is O=C(O)CN(CC1CC1)C1CC(NS(=O)(=O)c2cc(F)ccc2F)C1.
What is the InChIKey of 2-[cyclopropylmethyl-[3-[(2,5-difluorophenyl)sulfonylamino]cyclobutyl]amino]acetic acid?
The InChIKey is GBVMWGZECPNWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O4S/c17-11-3-4-14(18)15(5-11)25(23,24)19-12-6-13(7-12)20(9-16(21)22)8-10-1-2-10/h3-5,10,12-13,19H,1-2,6-9H2,(H,21,22).
What are the key properties of 2-[cyclopropylmethyl-[3-[(2,5-difluorophenyl)sulfonylamino]cyclobutyl]amino]acetic acid?
2-[cyclopropylmethyl-[3-[(2,5-difluorophenyl)sulfonylamino]cyclobutyl]amino]acetic acid has a molecular weight of 374.41 g/mol, XLogP of 1.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[3-[(2,5-difluorophenyl)sulfonylamino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122071751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).