2-[[3-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]cyclobutyl]-ethylamino]acetic acid

C19H28N2O2 — CID 122042197

IUPAC2-[[3-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]cyclobutyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC2c3cc(C)ccc3CC2C)C1
InChIInChI=1S/C19H28N2O2/c1-4-21(11-18(22)23)16-9-15(10-16)20-19-13(3)8-14-6-5-12(2)7-17(14)19/h5-7,13,15-16,19-20H,4,8-11H2,1-3H3,(H,22,23)
InChIKeyMOOLSVWJSNIBBR-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.76
Rot. Bonds6

About 2-[[3-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]cyclobutyl]-ethylamino]acetic acid

2-[[3-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]cyclobutyl]-ethylamino]acetic acid (PubChem CID 122042197) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 2-[[3-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]cyclobutyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]cyclobutyl]-ethylamino]acetic acid
PubChem CID122042197
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC Name2-[[3-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]cyclobutyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC2c3cc(C)ccc3CC2C)C1
InChIInChI=1S/C19H28N2O2/c1-4-21(11-18(22)23)16-9-15(10-16)20-19-13(3)8-14-6-5-12(2)7-17(14)19/h5-7,13,15-16,19-20H,4,8-11H2,1-3H3,(H,22,23)
InChIKeyMOOLSVWJSNIBBR-UHFFFAOYSA-N
XLogP2.76
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[3-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)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

4-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]-4-oxobutanoic acid
CID 120552413
2-[ethyl-[3-[(2-methoxy-5-methylphenyl)methylamino]cyclobutyl]amino]acetic acid
CID 122042318
2-[[3-[(2-chloro-4-methylphenyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122073682
2-[[3-[(3,4-dimethylcyclohexyl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122042518
2-[ethyl-[3-[(3-methylphenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122073438
2-[[1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)piperidin-4-yl]-methylamino]acetic acid
CID 122042893
2-[[3-[(2,5-dimethyloxolan-3-yl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122042160
2-[[3-(cyclooctylamino)cyclobutyl]-ethylamino]acetic acid
CID 122042803
2-[[3-[(3-tert-butylcyclobutyl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122042136
2-[[3-[(3,4-dimethylphenyl)methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122042566
2-[ethyl-[3-[2-(4-methylphenyl)ethylcarbamoylamino]cyclobutyl]amino]acetic acid
CID 122002549
2-[[3-[[3-(3-bromophenyl)cyclobutyl]amino]cyclobutyl]-ethylamino]acetic acid
CID 122042438

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]cyclobutyl]-ethylamino]acetic acid?
The IUPAC name of 2-[[3-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]cyclobutyl]-ethylamino]acetic acid (CID 122042197) is 2-[[3-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]cyclobutyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[3-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]cyclobutyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[3-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]cyclobutyl]-ethylamino]acetic acid is CCN(CC(=O)O)C1CC(NC2c3cc(C)ccc3CC2C)C1.
What is the InChIKey of 2-[[3-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]cyclobutyl]-ethylamino]acetic acid?
The InChIKey is MOOLSVWJSNIBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-4-21(11-18(22)23)16-9-15(10-16)20-19-13(3)8-14-6-5-12(2)7-17(14)19/h5-7,13,15-16,19-20H,4,8-11H2,1-3H3,(H,22,23).
What are the key properties of 2-[[3-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]cyclobutyl]-ethylamino]acetic acid?
2-[[3-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]cyclobutyl]-ethylamino]acetic acid has a molecular weight of 316.45 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]cyclobutyl]-ethylamino]acetic acid is sourced from PubChem (CID 122042197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).