2-[[3-[(4-chloro-2,6-dimethylphenyl)methylamino]cyclobutyl]-ethylamino]acetic acid

C17H25ClN2O2 — CID 122042830

IUPAC2-[[3-[(4-chloro-2,6-dimethylphenyl)methylamino]cyclobutyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NCc2c(C)cc(Cl)cc2C)C1
InChIInChI=1S/C17H25ClN2O2/c1-4-20(10-17(21)22)15-7-14(8-15)19-9-16-11(2)5-13(18)6-12(16)3/h5-6,14-15,19H,4,7-10H2,1-3H3,(H,21,22)
InChIKeyOYUAHDNPHMGQPP-UHFFFAOYSA-N
MW324.85 g/mol
LogP2.98
Rot. Bonds7

About 2-[[3-[(4-chloro-2,6-dimethylphenyl)methylamino]cyclobutyl]-ethylamino]acetic acid

2-[[3-[(4-chloro-2,6-dimethylphenyl)methylamino]cyclobutyl]-ethylamino]acetic acid (PubChem CID 122042830) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is 2-[[3-[(4-chloro-2,6-dimethylphenyl)methylamino]cyclobutyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-[(4-chloro-2,6-dimethylphenyl)methylamino]cyclobutyl]-ethylamino]acetic acid
PubChem CID122042830
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC Name2-[[3-[(4-chloro-2,6-dimethylphenyl)methylamino]cyclobutyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NCc2c(C)cc(Cl)cc2C)C1
InChIInChI=1S/C17H25ClN2O2/c1-4-20(10-17(21)22)15-7-14(8-15)19-9-16-11(2)5-13(18)6-12(16)3/h5-6,14-15,19H,4,7-10H2,1-3H3,(H,21,22)
InChIKeyOYUAHDNPHMGQPP-UHFFFAOYSA-N
XLogP2.98
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[3-[(4-chloro-2,6-dimethylphenyl)methylamino]cyclobutyl]-ethylamino]acetic acid with MolForge

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Related Compounds

2-[[3-[(4-chlorophenyl)methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122042459
2-[[3-[(3,4-dimethylphenyl)methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122042566
2-[ethyl-[3-[(5-fluoro-2-methylphenyl)methylamino]cyclobutyl]amino]acetic acid
CID 122042676
2-[[3-[(2-chloro-6-ethylphenyl)methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122042412
2-[[3-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122042448
2-[ethyl-[3-[(2-methoxy-5-methylphenyl)methylamino]cyclobutyl]amino]acetic acid
CID 122042318
2-[ethyl-[3-[(4-methoxy-3-methylphenyl)methylamino]cyclobutyl]amino]acetic acid
CID 122042229
2-[[3-[(6,8-dichloro-2H-chromen-3-yl)methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122042101
2-[[3-[3-(2,6-dichlorophenyl)propylamino]cyclobutyl]-ethylamino]acetic acid
CID 122042418
2-[[3-[(3,5-dimethyl-1-propylpyrazol-4-yl)methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122041980
2-[[3-[(4-cyanothiophen-2-yl)methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122041998
2-[[3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122042316

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(4-chloro-2,6-dimethylphenyl)methylamino]cyclobutyl]-ethylamino]acetic acid?
The IUPAC name of 2-[[3-[(4-chloro-2,6-dimethylphenyl)methylamino]cyclobutyl]-ethylamino]acetic acid (CID 122042830) is 2-[[3-[(4-chloro-2,6-dimethylphenyl)methylamino]cyclobutyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[3-[(4-chloro-2,6-dimethylphenyl)methylamino]cyclobutyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[3-[(4-chloro-2,6-dimethylphenyl)methylamino]cyclobutyl]-ethylamino]acetic acid is CCN(CC(=O)O)C1CC(NCc2c(C)cc(Cl)cc2C)C1.
What is the InChIKey of 2-[[3-[(4-chloro-2,6-dimethylphenyl)methylamino]cyclobutyl]-ethylamino]acetic acid?
The InChIKey is OYUAHDNPHMGQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O2/c1-4-20(10-17(21)22)15-7-14(8-15)19-9-16-11(2)5-13(18)6-12(16)3/h5-6,14-15,19H,4,7-10H2,1-3H3,(H,21,22).
What are the key properties of 2-[[3-[(4-chloro-2,6-dimethylphenyl)methylamino]cyclobutyl]-ethylamino]acetic acid?
2-[[3-[(4-chloro-2,6-dimethylphenyl)methylamino]cyclobutyl]-ethylamino]acetic acid has a molecular weight of 324.85 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(4-chloro-2,6-dimethylphenyl)methylamino]cyclobutyl]-ethylamino]acetic acid is sourced from PubChem (CID 122042830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).