methyl 4-aminobutanoate;methyl 4-(dibenzylamino)butanoate

C24H34N2O4 — CID 164962319

IUPACmethyl 4-aminobutanoate;methyl 4-(dibenzylamino)butanoate
SMILESCOC(=O)CCCN.COC(=O)CCCN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H23NO2.C5H11NO2/c1-22-19(21)13-8-14-20(15-17-9-4-2-5-10-17)16-18-11-6-3-7-12-18;1-8-5(7)3-2-4-6/h2-7,9-12H,8,13-16H2,1H3;2-4,6H2,1H3
InChIKeyBZVKXGOQJFPRTJ-UHFFFAOYSA-N
MW414.55 g/mol
LogP3.54
Rot. Bonds11

About methyl 4-aminobutanoate;methyl 4-(dibenzylamino)butanoate

methyl 4-aminobutanoate;methyl 4-(dibenzylamino)butanoate (PubChem CID 164962319) has the molecular formula C24H34N2O4 and a molecular weight of 414.55 g/mol. Its IUPAC name is methyl 4-aminobutanoate;methyl 4-(dibenzylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-aminobutanoate;methyl 4-(dibenzylamino)butanoate
PubChem CID164962319
Molecular FormulaC24H34N2O4
Molecular Weight414.55 g/mol
Exact Mass414.25
IUPAC Namemethyl 4-aminobutanoate;methyl 4-(dibenzylamino)butanoate
SMILESCOC(=O)CCCN.COC(=O)CCCN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H23NO2.C5H11NO2/c1-22-19(21)13-8-14-20(15-17-9-4-2-5-10-17)16-18-11-6-3-7-12-18;1-8-5(7)3-2-4-6/h2-7,9-12H,8,13-16H2,1H3;2-4,6H2,1H3
InChIKeyBZVKXGOQJFPRTJ-UHFFFAOYSA-N
XLogP3.54
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-aminobutanoate;methyl 4-(dibenzylamino)butanoate 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

methyl 3-[3-aminopropyl(benzyl)sulfamoyl]propanoate
CID 107366691
9-[benzyl(8-oxononyl)amino]nonan-2-one;methane;methyl 8-bromooctanoate;phenylmethanamine
CID 158083209
methyl 4-[(4-aminophenyl)methyl-ethylamino]butanoate
CID 43383874
4-(dibenzylamino)butanehydrazide
CID 130159101
5-(dibenzylamino)-N-methoxy-N-methylpentanamide
CID 87659903
methyl 4-aminobutanoate;dihydrochloride
CID 170991800
azane;3-(dibenzylamino)propanoic acid
CID 162310692
N'-benzyl-N'-(2-methylidenebutyl)propane-1,3-diamine
CID 107367618
methyl 4-[(4-aminophenyl)methyl-methylamino]butanoate
CID 43458294
methyl 3-[ethyl(4-phenylbutyl)amino]propanoate
CID 114334479
2-[3-aminopropyl(benzyl)amino]-N-carbamoylacetamide
CID 107366810
methyl 3-[[4-(aminomethyl)phenyl]methyl-[4-(dipropylamino)butyl]amino]propanoate
CID 59850572

Frequently Asked Questions

What is the IUPAC name of methyl 4-aminobutanoate;methyl 4-(dibenzylamino)butanoate?
The IUPAC name of methyl 4-aminobutanoate;methyl 4-(dibenzylamino)butanoate (CID 164962319) is methyl 4-aminobutanoate;methyl 4-(dibenzylamino)butanoate.
What is the SMILES notation for methyl 4-aminobutanoate;methyl 4-(dibenzylamino)butanoate?
The canonical SMILES for methyl 4-aminobutanoate;methyl 4-(dibenzylamino)butanoate is COC(=O)CCCN.COC(=O)CCCN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of methyl 4-aminobutanoate;methyl 4-(dibenzylamino)butanoate?
The InChIKey is BZVKXGOQJFPRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2.C5H11NO2/c1-22-19(21)13-8-14-20(15-17-9-4-2-5-10-17)16-18-11-6-3-7-12-18;1-8-5(7)3-2-4-6/h2-7,9-12H,8,13-16H2,1H3;2-4,6H2,1H3.
What are the key properties of methyl 4-aminobutanoate;methyl 4-(dibenzylamino)butanoate?
methyl 4-aminobutanoate;methyl 4-(dibenzylamino)butanoate has a molecular weight of 414.55 g/mol, XLogP of 3.54, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-aminobutanoate;methyl 4-(dibenzylamino)butanoate is sourced from PubChem (CID 164962319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).