2-[ethyl-[3-[(2-propan-2-yloxyphenyl)methylamino]cyclobutyl]amino]acetic acid

C18H28N2O3 — CID 122042512

IUPAC2-[ethyl-[3-[(2-propan-2-yloxyphenyl)methylamino]cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NCc2ccccc2OC(C)C)C1
InChIInChI=1S/C18H28N2O3/c1-4-20(12-18(21)22)16-9-15(10-16)19-11-14-7-5-6-8-17(14)23-13(2)3/h5-8,13,15-16,19H,4,9-12H2,1-3H3,(H,21,22)
InChIKeyHMDSEVPLHJEADI-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.50
Rot. Bonds9

About 2-[ethyl-[3-[(2-propan-2-yloxyphenyl)methylamino]cyclobutyl]amino]acetic acid

2-[ethyl-[3-[(2-propan-2-yloxyphenyl)methylamino]cyclobutyl]amino]acetic acid (PubChem CID 122042512) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 2-[ethyl-[3-[(2-propan-2-yloxyphenyl)methylamino]cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[3-[(2-propan-2-yloxyphenyl)methylamino]cyclobutyl]amino]acetic acid
PubChem CID122042512
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name2-[ethyl-[3-[(2-propan-2-yloxyphenyl)methylamino]cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NCc2ccccc2OC(C)C)C1
InChIInChI=1S/C18H28N2O3/c1-4-20(12-18(21)22)16-9-15(10-16)19-11-14-7-5-6-8-17(14)23-13(2)3/h5-8,13,15-16,19H,4,9-12H2,1-3H3,(H,21,22)
InChIKeyHMDSEVPLHJEADI-UHFFFAOYSA-N
XLogP2.50
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-[3-[[2-(2-methylpropoxy)phenyl]methylamino]cyclobutyl]amino]acetic acid
CID 122042127
2-[[3-[(2-chloro-6-ethylphenyl)methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122042412
2-[[3-[[2-(difluoromethoxy)-4-methoxyphenyl]methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122042019
2-[ethyl-[3-[(2-methoxy-5-methylphenyl)methylamino]cyclobutyl]amino]acetic acid
CID 122042318
2-[ethyl-[3-[(5-fluoro-2-methylphenyl)methylamino]cyclobutyl]amino]acetic acid
CID 122042676
2-[[3-[(4-chlorophenyl)methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122042459
2-[[3-[(5-bromo-2-methoxyphenyl)methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122042399
2-[ethyl-[3-[(2-methyl-3-phenylpropyl)amino]cyclobutyl]amino]acetic acid
CID 122042670
2-[ethyl-[3-[(4-phenylcyclohexyl)methylamino]cyclobutyl]amino]acetic acid
CID 122042345
2-[[3-[(3,4-dimethoxyphenyl)methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122042559
1-[4-[(2-propan-2-yloxyphenyl)methylamino]piperidin-1-yl]ethanone
CID 43224279
2-[[3-[(5-bromo-2-propoxyphenyl)methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122042577

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-[(2-propan-2-yloxyphenyl)methylamino]cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[3-[(2-propan-2-yloxyphenyl)methylamino]cyclobutyl]amino]acetic acid (CID 122042512) is 2-[ethyl-[3-[(2-propan-2-yloxyphenyl)methylamino]cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[3-[(2-propan-2-yloxyphenyl)methylamino]cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[3-[(2-propan-2-yloxyphenyl)methylamino]cyclobutyl]amino]acetic acid is CCN(CC(=O)O)C1CC(NCc2ccccc2OC(C)C)C1.
What is the InChIKey of 2-[ethyl-[3-[(2-propan-2-yloxyphenyl)methylamino]cyclobutyl]amino]acetic acid?
The InChIKey is HMDSEVPLHJEADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-4-20(12-18(21)22)16-9-15(10-16)19-11-14-7-5-6-8-17(14)23-13(2)3/h5-8,13,15-16,19H,4,9-12H2,1-3H3,(H,21,22).
What are the key properties of 2-[ethyl-[3-[(2-propan-2-yloxyphenyl)methylamino]cyclobutyl]amino]acetic acid?
2-[ethyl-[3-[(2-propan-2-yloxyphenyl)methylamino]cyclobutyl]amino]acetic acid has a molecular weight of 320.43 g/mol, XLogP of 2.50, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[3-[(2-propan-2-yloxyphenyl)methylamino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122042512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).