2-[[3-[(3,4-dimethylcyclohexyl)amino]cyclobutyl]-ethylamino]acetic acid

C16H30N2O2 — CID 122042518

IUPAC2-[[3-[(3,4-dimethylcyclohexyl)amino]cyclobutyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC2CCC(C)C(C)C2)C1
InChIInChI=1S/C16H30N2O2/c1-4-18(10-16(19)20)15-8-14(9-15)17-13-6-5-11(2)12(3)7-13/h11-15,17H,4-10H2,1-3H3,(H,19,20)
InChIKeyJGAYBKDRZDNQFL-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.34
Rot. Bonds6

About 2-[[3-[(3,4-dimethylcyclohexyl)amino]cyclobutyl]-ethylamino]acetic acid

2-[[3-[(3,4-dimethylcyclohexyl)amino]cyclobutyl]-ethylamino]acetic acid (PubChem CID 122042518) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-[[3-[(3,4-dimethylcyclohexyl)amino]cyclobutyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-[(3,4-dimethylcyclohexyl)amino]cyclobutyl]-ethylamino]acetic acid
PubChem CID122042518
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name2-[[3-[(3,4-dimethylcyclohexyl)amino]cyclobutyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC2CCC(C)C(C)C2)C1
InChIInChI=1S/C16H30N2O2/c1-4-18(10-16(19)20)15-8-14(9-15)17-13-6-5-11(2)12(3)7-13/h11-15,17H,4-10H2,1-3H3,(H,19,20)
InChIKeyJGAYBKDRZDNQFL-UHFFFAOYSA-N
XLogP2.34
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[3-[(3,4-dimethylcyclohexyl)amino]cyclobutyl]-ethylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[3-(cyclooctylamino)cyclobutyl]-ethylamino]acetic acid
CID 122042803
2-[[3-[(3-tert-butylcyclobutyl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122042136
2-[[1-[(3,4-dimethylcyclohexyl)carbamoyl]piperidin-4-yl]-ethylamino]acetic acid
CID 122009847
2-[[3-[(2,5-dimethyloxolan-3-yl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122042160
2-[[3-[(1-benzyl-2-methylpiperidin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122042697
2-[ethyl-[3-[(4-methyl-4-phenylcyclohexyl)amino]cyclobutyl]amino]acetic acid
CID 122042745
2-[cyclopropylmethyl-[3-[(4-propan-2-ylcyclohexyl)amino]cyclobutyl]amino]acetic acid
CID 122041857
2-[ethyl-[3-[(3-methyl-2-propan-2-ylbutyl)amino]cyclobutyl]amino]acetic acid
CID 122042252
2-[[3-(cyclobutylmethylsulfonylamino)cyclobutyl]-ethylamino]acetic acid
CID 122070345
2-[[3-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122042197
2-[[3-[[3-(3-bromophenyl)cyclobutyl]amino]cyclobutyl]-ethylamino]acetic acid
CID 122042438
2-[[3-[(2,3-dimethylcyclohexyl)methylcarbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122012717

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(3,4-dimethylcyclohexyl)amino]cyclobutyl]-ethylamino]acetic acid?
The IUPAC name of 2-[[3-[(3,4-dimethylcyclohexyl)amino]cyclobutyl]-ethylamino]acetic acid (CID 122042518) is 2-[[3-[(3,4-dimethylcyclohexyl)amino]cyclobutyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[3-[(3,4-dimethylcyclohexyl)amino]cyclobutyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[3-[(3,4-dimethylcyclohexyl)amino]cyclobutyl]-ethylamino]acetic acid is CCN(CC(=O)O)C1CC(NC2CCC(C)C(C)C2)C1.
What is the InChIKey of 2-[[3-[(3,4-dimethylcyclohexyl)amino]cyclobutyl]-ethylamino]acetic acid?
The InChIKey is JGAYBKDRZDNQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-4-18(10-16(19)20)15-8-14(9-15)17-13-6-5-11(2)12(3)7-13/h11-15,17H,4-10H2,1-3H3,(H,19,20).
What are the key properties of 2-[[3-[(3,4-dimethylcyclohexyl)amino]cyclobutyl]-ethylamino]acetic acid?
2-[[3-[(3,4-dimethylcyclohexyl)amino]cyclobutyl]-ethylamino]acetic acid has a molecular weight of 282.43 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(3,4-dimethylcyclohexyl)amino]cyclobutyl]-ethylamino]acetic acid is sourced from PubChem (CID 122042518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).