2-[ethyl-[3-[(2-methyl-3-phenylpropyl)amino]cyclobutyl]amino]acetic acid

C18H28N2O2 — CID 122042670

IUPAC2-[ethyl-[3-[(2-methyl-3-phenylpropyl)amino]cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NCC(C)Cc2ccccc2)C1
InChIInChI=1S/C18H28N2O2/c1-3-20(13-18(21)22)17-10-16(11-17)19-12-14(2)9-15-7-5-4-6-8-15/h4-8,14,16-17,19H,3,9-13H2,1-2H3,(H,21,22)
InChIKeyNSOKNDDMJQYPHD-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.39
Rot. Bonds9

About 2-[ethyl-[3-[(2-methyl-3-phenylpropyl)amino]cyclobutyl]amino]acetic acid

2-[ethyl-[3-[(2-methyl-3-phenylpropyl)amino]cyclobutyl]amino]acetic acid (PubChem CID 122042670) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-[ethyl-[3-[(2-methyl-3-phenylpropyl)amino]cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[3-[(2-methyl-3-phenylpropyl)amino]cyclobutyl]amino]acetic acid
PubChem CID122042670
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name2-[ethyl-[3-[(2-methyl-3-phenylpropyl)amino]cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NCC(C)Cc2ccccc2)C1
InChIInChI=1S/C18H28N2O2/c1-3-20(13-18(21)22)17-10-16(11-17)19-12-14(2)9-15-7-5-4-6-8-15/h4-8,14,16-17,19H,3,9-13H2,1-2H3,(H,21,22)
InChIKeyNSOKNDDMJQYPHD-UHFFFAOYSA-N
XLogP2.39
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl-[3-[(3-methyl-2-propan-2-ylbutyl)amino]cyclobutyl]amino]acetic acid
CID 122042252
2-[[3-[[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122025536
2-[ethyl-[3-[(2-propan-2-yloxyphenyl)methylamino]cyclobutyl]amino]acetic acid
CID 122042512
2-[ethyl-[3-[[(E)-3-phenylprop-2-enyl]amino]cyclobutyl]amino]acetic acid
CID 122042058
2-[ethyl-[3-[[2-(2-methylpropoxy)phenyl]methylamino]cyclobutyl]amino]acetic acid
CID 122042127
2-[[3-[(4-chlorophenyl)methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122042459
2-[[3-[[benzyl(cyclopropyl)carbamoyl]amino]cyclobutyl]-ethylamino]acetic acid
CID 122025365
2-[[3-[[(2R)-1-[benzyl(methyl)amino]propan-2-yl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122014573
2-[ethyl-[3-[(4-phenylcyclohexyl)methylamino]cyclobutyl]amino]acetic acid
CID 122042345
2-[[3-[(3,4-dimethylphenyl)methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122042566
2-[ethyl-[3-[(4-methylsulfanylphenyl)methylamino]cyclobutyl]amino]acetic acid
CID 122042403
2-[[3-[[benzyl(propyl)carbamoyl]amino]cyclobutyl]-ethylamino]acetic acid
CID 122027054

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-[(2-methyl-3-phenylpropyl)amino]cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[3-[(2-methyl-3-phenylpropyl)amino]cyclobutyl]amino]acetic acid (CID 122042670) is 2-[ethyl-[3-[(2-methyl-3-phenylpropyl)amino]cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[3-[(2-methyl-3-phenylpropyl)amino]cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[3-[(2-methyl-3-phenylpropyl)amino]cyclobutyl]amino]acetic acid is CCN(CC(=O)O)C1CC(NCC(C)Cc2ccccc2)C1.
What is the InChIKey of 2-[ethyl-[3-[(2-methyl-3-phenylpropyl)amino]cyclobutyl]amino]acetic acid?
The InChIKey is NSOKNDDMJQYPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-3-20(13-18(21)22)17-10-16(11-17)19-12-14(2)9-15-7-5-4-6-8-15/h4-8,14,16-17,19H,3,9-13H2,1-2H3,(H,21,22).
What are the key properties of 2-[ethyl-[3-[(2-methyl-3-phenylpropyl)amino]cyclobutyl]amino]acetic acid?
2-[ethyl-[3-[(2-methyl-3-phenylpropyl)amino]cyclobutyl]amino]acetic acid has a molecular weight of 304.43 g/mol, XLogP of 2.39, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[3-[(2-methyl-3-phenylpropyl)amino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122042670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).