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

C16H32N2O2 — CID 122042252

IUPAC2-[ethyl-[3-[(3-methyl-2-propan-2-ylbutyl)amino]cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NCC(C(C)C)C(C)C)C1
InChIInChI=1S/C16H32N2O2/c1-6-18(10-16(19)20)14-7-13(8-14)17-9-15(11(2)3)12(4)5/h11-15,17H,6-10H2,1-5H3,(H,19,20)
InChIKeyJVQANAKIPZUWER-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.44
Rot. Bonds9

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

2-[ethyl-[3-[(3-methyl-2-propan-2-ylbutyl)amino]cyclobutyl]amino]acetic acid (PubChem CID 122042252) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 2-[ethyl-[3-[(3-methyl-2-propan-2-ylbutyl)amino]cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[3-[(3-methyl-2-propan-2-ylbutyl)amino]cyclobutyl]amino]acetic acid
PubChem CID122042252
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name2-[ethyl-[3-[(3-methyl-2-propan-2-ylbutyl)amino]cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NCC(C(C)C)C(C)C)C1
InChIInChI=1S/C16H32N2O2/c1-6-18(10-16(19)20)14-7-13(8-14)17-9-15(11(2)3)12(4)5/h11-15,17H,6-10H2,1-5H3,(H,19,20)
InChIKeyJVQANAKIPZUWER-UHFFFAOYSA-N
XLogP2.44
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl-[3-[(2-methyl-3-phenylpropyl)amino]cyclobutyl]amino]acetic acid
CID 122042670
2-[[3-(cyclooctylamino)cyclobutyl]-ethylamino]acetic acid
CID 122042803
2-[[3-[(3-tert-butylcyclobutyl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122042136
2-[[3-[[(1R)-1-cyclopropylethyl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122026475
2-[ethyl-[3-(1-methylsulfanylpropan-2-ylcarbamoylamino)cyclobutyl]amino]acetic acid
CID 122002901
2-[[3-[(4-chlorophenyl)methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122042459
2-[ethyl-[3-(1,1,1-trifluoropropan-2-ylsulfonylamino)cyclobutyl]amino]acetic acid
CID 122070372
2-[[3-(3-cyclohexylpropylamino)cyclobutyl]-ethylamino]acetic acid
CID 122042436
2-[[3-[2-(azepan-1-yl)propanoylamino]cyclobutyl]-ethylamino]acetic acid
CID 128996384
2-[ethyl-[3-[(2-propan-2-yloxyphenyl)methylamino]cyclobutyl]amino]acetic acid
CID 122042512
2-[ethyl-[3-[[(2S)-1-[methyl(propan-2-yl)amino]propan-2-yl]carbamoylamino]cyclobutyl]amino]acetic acid
CID 122014720
2-[ethyl-[3-[(3-propan-2-ylcyclohexyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122000847

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-[(3-methyl-2-propan-2-ylbutyl)amino]cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[3-[(3-methyl-2-propan-2-ylbutyl)amino]cyclobutyl]amino]acetic acid (CID 122042252) is 2-[ethyl-[3-[(3-methyl-2-propan-2-ylbutyl)amino]cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[3-[(3-methyl-2-propan-2-ylbutyl)amino]cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[3-[(3-methyl-2-propan-2-ylbutyl)amino]cyclobutyl]amino]acetic acid is CCN(CC(=O)O)C1CC(NCC(C(C)C)C(C)C)C1.
What is the InChIKey of 2-[ethyl-[3-[(3-methyl-2-propan-2-ylbutyl)amino]cyclobutyl]amino]acetic acid?
The InChIKey is JVQANAKIPZUWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-6-18(10-16(19)20)14-7-13(8-14)17-9-15(11(2)3)12(4)5/h11-15,17H,6-10H2,1-5H3,(H,19,20).
What are the key properties of 2-[ethyl-[3-[(3-methyl-2-propan-2-ylbutyl)amino]cyclobutyl]amino]acetic acid?
2-[ethyl-[3-[(3-methyl-2-propan-2-ylbutyl)amino]cyclobutyl]amino]acetic acid has a molecular weight of 284.44 g/mol, XLogP of 2.44, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[3-[(3-methyl-2-propan-2-ylbutyl)amino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122042252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).