2-[[3-[[2-(difluoromethoxy)-4-methoxyphenyl]methylamino]cyclobutyl]-ethylamino]acetic acid

C17H24F2N2O4 — CID 122042019

IUPAC2-[[3-[[2-(difluoromethoxy)-4-methoxyphenyl]methylamino]cyclobutyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NCc2ccc(OC)cc2OC(F)F)C1
InChIInChI=1S/C17H24F2N2O4/c1-3-21(10-16(22)23)13-6-12(7-13)20-9-11-4-5-14(24-2)8-15(11)25-17(18)19/h4-5,8,12-13,17,20H,3,6-7,9-10H2,1-2H3,(H,22,23)
InChIKeyJRIGBAVILITDBU-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.32
Rot. Bonds10

About 2-[[3-[[2-(difluoromethoxy)-4-methoxyphenyl]methylamino]cyclobutyl]-ethylamino]acetic acid

2-[[3-[[2-(difluoromethoxy)-4-methoxyphenyl]methylamino]cyclobutyl]-ethylamino]acetic acid (PubChem CID 122042019) has the molecular formula C17H24F2N2O4 and a molecular weight of 358.39 g/mol. Its IUPAC name is 2-[[3-[[2-(difluoromethoxy)-4-methoxyphenyl]methylamino]cyclobutyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-[[2-(difluoromethoxy)-4-methoxyphenyl]methylamino]cyclobutyl]-ethylamino]acetic acid
PubChem CID122042019
Molecular FormulaC17H24F2N2O4
Molecular Weight358.39 g/mol
Exact Mass358.17
IUPAC Name2-[[3-[[2-(difluoromethoxy)-4-methoxyphenyl]methylamino]cyclobutyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NCc2ccc(OC)cc2OC(F)F)C1
InChIInChI=1S/C17H24F2N2O4/c1-3-21(10-16(22)23)13-6-12(7-13)20-9-11-4-5-14(24-2)8-15(11)25-17(18)19/h4-5,8,12-13,17,20H,3,6-7,9-10H2,1-2H3,(H,22,23)
InChIKeyJRIGBAVILITDBU-UHFFFAOYSA-N
XLogP2.32
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[3-[[2-(difluoromethoxy)-4-methoxyphenyl]methylamino]cyclobutyl]-ethylamino]acetic acid with MolForge

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Related Compounds

2-[ethyl-[3-[(2-methoxy-5-methylphenyl)methylamino]cyclobutyl]amino]acetic acid
CID 122042318
2-[ethyl-[3-[(2-propan-2-yloxyphenyl)methylamino]cyclobutyl]amino]acetic acid
CID 122042512
2-[[3-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122042448
2-[[3-[(3,4-dimethoxyphenyl)methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122042559
2-[ethyl-[3-[[2-(2-methylpropoxy)phenyl]methylamino]cyclobutyl]amino]acetic acid
CID 122042127
2-[ethyl-[3-[(4-methoxy-3-methylphenyl)methylamino]cyclobutyl]amino]acetic acid
CID 122042229
2-[ethyl-[3-[(5-fluoro-2-methylphenyl)methylamino]cyclobutyl]amino]acetic acid
CID 122042676
2-[[3-[[4-chloro-2-(difluoromethoxy)phenyl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122089950
2-[[3-[(4-chloro-2-methoxyphenyl)methylcarbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122001341
2-[[3-[(4-chloro-2,6-dimethylphenyl)methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122042830
2-[[3-[[2-(difluoromethoxy)-4-fluorophenyl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122085730
2-[[3-[(5-bromo-2-propoxyphenyl)methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122042577

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[[2-(difluoromethoxy)-4-methoxyphenyl]methylamino]cyclobutyl]-ethylamino]acetic acid?
The IUPAC name of 2-[[3-[[2-(difluoromethoxy)-4-methoxyphenyl]methylamino]cyclobutyl]-ethylamino]acetic acid (CID 122042019) is 2-[[3-[[2-(difluoromethoxy)-4-methoxyphenyl]methylamino]cyclobutyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[3-[[2-(difluoromethoxy)-4-methoxyphenyl]methylamino]cyclobutyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[3-[[2-(difluoromethoxy)-4-methoxyphenyl]methylamino]cyclobutyl]-ethylamino]acetic acid is CCN(CC(=O)O)C1CC(NCc2ccc(OC)cc2OC(F)F)C1.
What is the InChIKey of 2-[[3-[[2-(difluoromethoxy)-4-methoxyphenyl]methylamino]cyclobutyl]-ethylamino]acetic acid?
The InChIKey is JRIGBAVILITDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O4/c1-3-21(10-16(22)23)13-6-12(7-13)20-9-11-4-5-14(24-2)8-15(11)25-17(18)19/h4-5,8,12-13,17,20H,3,6-7,9-10H2,1-2H3,(H,22,23).
What are the key properties of 2-[[3-[[2-(difluoromethoxy)-4-methoxyphenyl]methylamino]cyclobutyl]-ethylamino]acetic acid?
2-[[3-[[2-(difluoromethoxy)-4-methoxyphenyl]methylamino]cyclobutyl]-ethylamino]acetic acid has a molecular weight of 358.39 g/mol, XLogP of 2.32, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[[2-(difluoromethoxy)-4-methoxyphenyl]methylamino]cyclobutyl]-ethylamino]acetic acid is sourced from PubChem (CID 122042019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).