methyl 2-(3-aminopropanoylamino)-5-morpholin-4-ylbenzoate;dihydrochloride

C15H23Cl2N3O4 — CID 119840970

IUPACmethyl 2-(3-aminopropanoylamino)-5-morpholin-4-ylbenzoate;dihydrochloride
SMILESCOC(=O)c1cc(N2CCOCC2)ccc1NC(=O)CCN.Cl.Cl
InChIInChI=1S/C15H21N3O4.2ClH/c1-21-15(20)12-10-11(18-6-8-22-9-7-18)2-3-13(12)17-14(19)4-5-16;;/h2-3,10H,4-9,16H2,1H3,(H,17,19);2*1H
InChIKeyYBLAAZSOCZHDBI-UHFFFAOYSA-N
MW380.27 g/mol
LogP1.44
Rot. Bonds5

About methyl 2-(3-aminopropanoylamino)-5-morpholin-4-ylbenzoate;dihydrochloride

methyl 2-(3-aminopropanoylamino)-5-morpholin-4-ylbenzoate;dihydrochloride (PubChem CID 119840970) has the molecular formula C15H23Cl2N3O4 and a molecular weight of 380.27 g/mol. Its IUPAC name is methyl 2-(3-aminopropanoylamino)-5-morpholin-4-ylbenzoate;dihydrochloride.

Molecular Properties

Compound Namemethyl 2-(3-aminopropanoylamino)-5-morpholin-4-ylbenzoate;dihydrochloride
PubChem CID119840970
Molecular FormulaC15H23Cl2N3O4
Molecular Weight380.27 g/mol
Exact Mass379.11
IUPAC Namemethyl 2-(3-aminopropanoylamino)-5-morpholin-4-ylbenzoate;dihydrochloride
SMILESCOC(=O)c1cc(N2CCOCC2)ccc1NC(=O)CCN.Cl.Cl
InChIInChI=1S/C15H21N3O4.2ClH/c1-21-15(20)12-10-11(18-6-8-22-9-7-18)2-3-13(12)17-14(19)4-5-16;;/h2-3,10H,4-9,16H2,1H3,(H,17,19);2*1H
InChIKeyYBLAAZSOCZHDBI-UHFFFAOYSA-N
XLogP1.44
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.27
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-(3-aminopropanoylamino)-5-morpholin-4-ylbenzoate;dihydrochloride 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 2-(7-aminoheptanoylamino)-5-morpholin-4-ylbenzoate;dihydrochloride
CID 119840926
methyl 2-(4-methylpentanoylamino)-5-morpholin-4-ylbenzoate
CID 134033506
methyl 2-[[2-(methylamino)acetyl]amino]-5-morpholin-4-ylbenzoate;dihydrochloride
CID 119840940
methyl 2-[(4-amino-3-methoxybutanoyl)amino]-5-morpholin-4-ylbenzoate;dihydrochloride
CID 120595061
methyl 2-[3-(2-aminophenyl)propanoylamino]-5-morpholin-4-ylbenzoate
CID 120612237
methyl 2-[[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]amino]-5-morpholin-4-ylbenzoate
CID 56523428
methyl 2-[[(2S)-2-aminobutanoyl]amino]-5-morpholin-4-ylbenzoate;dihydrochloride
CID 119840954
methyl 2-[(3-amino-2-methylbutanoyl)amino]-5-morpholin-4-ylbenzoate
CID 120502747
methyl 2-[[2-methyl-3-(methylamino)propanoyl]amino]-5-morpholin-4-ylbenzoate
CID 119840953
methyl 2-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]-5-morpholin-4-ylbenzoate
CID 120797586
methyl 2-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]amino]-5-morpholin-4-ylbenzoate
CID 56523034
4-amino-N-(2,4-dimorpholin-4-ylphenyl)butanamide
CID 119900958

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-aminopropanoylamino)-5-morpholin-4-ylbenzoate;dihydrochloride?
The IUPAC name of methyl 2-(3-aminopropanoylamino)-5-morpholin-4-ylbenzoate;dihydrochloride (CID 119840970) is methyl 2-(3-aminopropanoylamino)-5-morpholin-4-ylbenzoate;dihydrochloride.
What is the SMILES notation for methyl 2-(3-aminopropanoylamino)-5-morpholin-4-ylbenzoate;dihydrochloride?
The canonical SMILES for methyl 2-(3-aminopropanoylamino)-5-morpholin-4-ylbenzoate;dihydrochloride is COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)CCN.Cl.Cl.
What is the InChIKey of methyl 2-(3-aminopropanoylamino)-5-morpholin-4-ylbenzoate;dihydrochloride?
The InChIKey is YBLAAZSOCZHDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4.2ClH/c1-21-15(20)12-10-11(18-6-8-22-9-7-18)2-3-13(12)17-14(19)4-5-16;;/h2-3,10H,4-9,16H2,1H3,(H,17,19);2*1H.
What are the key properties of methyl 2-(3-aminopropanoylamino)-5-morpholin-4-ylbenzoate;dihydrochloride?
methyl 2-(3-aminopropanoylamino)-5-morpholin-4-ylbenzoate;dihydrochloride has a molecular weight of 380.27 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-aminopropanoylamino)-5-morpholin-4-ylbenzoate;dihydrochloride is sourced from PubChem (CID 119840970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).