2-[cyclopropylmethyl-[3-[(4-propan-2-ylphenyl)sulfonylamino]cyclobutyl]amino]acetic acid

C19H28N2O4S — CID 122071721

IUPAC2-[cyclopropylmethyl-[3-[(4-propan-2-ylphenyl)sulfonylamino]cyclobutyl]amino]acetic acid
SMILESCC(C)c1ccc(S(=O)(=O)NC2CC(N(CC(=O)O)CC3CC3)C2)cc1
InChIInChI=1S/C19H28N2O4S/c1-13(2)15-5-7-18(8-6-15)26(24,25)20-16-9-17(10-16)21(12-19(22)23)11-14-3-4-14/h5-8,13-14,16-17,20H,3-4,9-12H2,1-2H3,(H,22,23)
InChIKeyXAXPAOIEAFMYPH-UHFFFAOYSA-N
MW380.51 g/mol
LogP2.42
Rot. Bonds9

About 2-[cyclopropylmethyl-[3-[(4-propan-2-ylphenyl)sulfonylamino]cyclobutyl]amino]acetic acid

2-[cyclopropylmethyl-[3-[(4-propan-2-ylphenyl)sulfonylamino]cyclobutyl]amino]acetic acid (PubChem CID 122071721) has the molecular formula C19H28N2O4S and a molecular weight of 380.51 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[3-[(4-propan-2-ylphenyl)sulfonylamino]cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[3-[(4-propan-2-ylphenyl)sulfonylamino]cyclobutyl]amino]acetic acid
PubChem CID122071721
Molecular FormulaC19H28N2O4S
Molecular Weight380.51 g/mol
Exact Mass380.18
IUPAC Name2-[cyclopropylmethyl-[3-[(4-propan-2-ylphenyl)sulfonylamino]cyclobutyl]amino]acetic acid
SMILESCC(C)c1ccc(S(=O)(=O)NC2CC(N(CC(=O)O)CC3CC3)C2)cc1
InChIInChI=1S/C19H28N2O4S/c1-13(2)15-5-7-18(8-6-15)26(24,25)20-16-9-17(10-16)21(12-19(22)23)11-14-3-4-14/h5-8,13-14,16-17,20H,3-4,9-12H2,1-2H3,(H,22,23)
InChIKeyXAXPAOIEAFMYPH-UHFFFAOYSA-N
XLogP2.42
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropylmethyl-[3-[(4-ethoxyphenyl)sulfonylamino]cyclobutyl]amino]acetic acid
CID 122071739
2-[cyclopropylmethyl-[3-(thiophen-3-ylsulfonylamino)cyclobutyl]amino]acetic acid
CID 122072028
2-[cyclopropylmethyl-[3-[(3-methyl-4-nitrophenyl)sulfonylamino]cyclobutyl]amino]acetic acid
CID 122071861
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-[(3-fluoro-2-methylphenyl)sulfonylamino]cyclobutyl]amino]acetic acid
CID 122071868
2-[[3-[(2-chloro-4-fluorophenyl)sulfonylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 122071775
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-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclobutyl]amino]acetic acid
CID 122071854
2-[cyclopropylmethyl-[3-[(2-methoxy-5-methylphenyl)sulfonylamino]cyclobutyl]amino]acetic acid
CID 122071896
2-[[3-[2-(3-bromophenyl)propylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 122041883

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[3-[(4-propan-2-ylphenyl)sulfonylamino]cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[3-[(4-propan-2-ylphenyl)sulfonylamino]cyclobutyl]amino]acetic acid (CID 122071721) is 2-[cyclopropylmethyl-[3-[(4-propan-2-ylphenyl)sulfonylamino]cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[3-[(4-propan-2-ylphenyl)sulfonylamino]cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[3-[(4-propan-2-ylphenyl)sulfonylamino]cyclobutyl]amino]acetic acid is CC(C)c1ccc(S(=O)(=O)NC2CC(N(CC(=O)O)CC3CC3)C2)cc1.
What is the InChIKey of 2-[cyclopropylmethyl-[3-[(4-propan-2-ylphenyl)sulfonylamino]cyclobutyl]amino]acetic acid?
The InChIKey is XAXPAOIEAFMYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4S/c1-13(2)15-5-7-18(8-6-15)26(24,25)20-16-9-17(10-16)21(12-19(22)23)11-14-3-4-14/h5-8,13-14,16-17,20H,3-4,9-12H2,1-2H3,(H,22,23).
What are the key properties of 2-[cyclopropylmethyl-[3-[(4-propan-2-ylphenyl)sulfonylamino]cyclobutyl]amino]acetic acid?
2-[cyclopropylmethyl-[3-[(4-propan-2-ylphenyl)sulfonylamino]cyclobutyl]amino]acetic acid has a molecular weight of 380.51 g/mol, XLogP of 2.42, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[3-[(4-propan-2-ylphenyl)sulfonylamino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122071721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).