methyl 2-[(4-amino-3-methoxybutanoyl)amino]-5-morpholin-4-ylbenzoate;dihydrochloride

C17H27Cl2N3O5 — CID 120595061

IUPACmethyl 2-[(4-amino-3-methoxybutanoyl)amino]-5-morpholin-4-ylbenzoate;dihydrochloride
SMILESCOC(=O)c1cc(N2CCOCC2)ccc1NC(=O)CC(CN)OC.Cl.Cl
InChIInChI=1S/C17H25N3O5.2ClH/c1-23-13(11-18)10-16(21)19-15-4-3-12(9-14(15)17(22)24-2)20-5-7-25-8-6-20;;/h3-4,9,13H,5-8,10-11,18H2,1-2H3,(H,19,21);2*1H
InChIKeyFQGLPOZWNGYLQN-UHFFFAOYSA-N
MW424.33 g/mol
LogP1.46
Rot. Bonds7

About methyl 2-[(4-amino-3-methoxybutanoyl)amino]-5-morpholin-4-ylbenzoate;dihydrochloride

methyl 2-[(4-amino-3-methoxybutanoyl)amino]-5-morpholin-4-ylbenzoate;dihydrochloride (PubChem CID 120595061) has the molecular formula C17H27Cl2N3O5 and a molecular weight of 424.33 g/mol. Its IUPAC name is methyl 2-[(4-amino-3-methoxybutanoyl)amino]-5-morpholin-4-ylbenzoate;dihydrochloride.

Molecular Properties

Compound Namemethyl 2-[(4-amino-3-methoxybutanoyl)amino]-5-morpholin-4-ylbenzoate;dihydrochloride
PubChem CID120595061
Molecular FormulaC17H27Cl2N3O5
Molecular Weight424.33 g/mol
Exact Mass423.13
IUPAC Namemethyl 2-[(4-amino-3-methoxybutanoyl)amino]-5-morpholin-4-ylbenzoate;dihydrochloride
SMILESCOC(=O)c1cc(N2CCOCC2)ccc1NC(=O)CC(CN)OC.Cl.Cl
InChIInChI=1S/C17H25N3O5.2ClH/c1-23-13(11-18)10-16(21)19-15-4-3-12(9-14(15)17(22)24-2)20-5-7-25-8-6-20;;/h3-4,9,13H,5-8,10-11,18H2,1-2H3,(H,19,21);2*1H
InChIKeyFQGLPOZWNGYLQN-UHFFFAOYSA-N
XLogP1.46
TPSA103.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.33
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 2-[(4-amino-3-methoxybutanoyl)amino]-5-morpholin-4-ylbenzoate;dihydrochloride with MolForge

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Related Compounds

methyl 2-(3-aminopropanoylamino)-5-morpholin-4-ylbenzoate;dihydrochloride
CID 119840970
methyl 2-[[2-(methylamino)acetyl]amino]-5-morpholin-4-ylbenzoate;dihydrochloride
CID 119840940
methyl 2-(7-aminoheptanoylamino)-5-morpholin-4-ylbenzoate;dihydrochloride
CID 119840926
methyl 2-(4-methylpentanoylamino)-5-morpholin-4-ylbenzoate
CID 134033506
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-[3-(2-aminophenyl)propanoylamino]-5-morpholin-4-ylbenzoate
CID 120612237
4-amino-N-(3-chloro-2-morpholin-4-ylphenyl)-3-methoxybutanamide;dihydrochloride
CID 120595047
methyl 2-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]-5-morpholin-4-ylbenzoate
CID 120797586
methyl 2-[[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]amino]-5-morpholin-4-ylbenzoate
CID 56523428
methyl 2-[(2,6-dichloropyridine-3-carbonyl)amino]-5-morpholin-4-ylbenzoate
CID 71881377

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-amino-3-methoxybutanoyl)amino]-5-morpholin-4-ylbenzoate;dihydrochloride?
The IUPAC name of methyl 2-[(4-amino-3-methoxybutanoyl)amino]-5-morpholin-4-ylbenzoate;dihydrochloride (CID 120595061) is methyl 2-[(4-amino-3-methoxybutanoyl)amino]-5-morpholin-4-ylbenzoate;dihydrochloride.
What is the SMILES notation for methyl 2-[(4-amino-3-methoxybutanoyl)amino]-5-morpholin-4-ylbenzoate;dihydrochloride?
The canonical SMILES for methyl 2-[(4-amino-3-methoxybutanoyl)amino]-5-morpholin-4-ylbenzoate;dihydrochloride is COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)CC(CN)OC.Cl.Cl.
What is the InChIKey of methyl 2-[(4-amino-3-methoxybutanoyl)amino]-5-morpholin-4-ylbenzoate;dihydrochloride?
The InChIKey is FQGLPOZWNGYLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O5.2ClH/c1-23-13(11-18)10-16(21)19-15-4-3-12(9-14(15)17(22)24-2)20-5-7-25-8-6-20;;/h3-4,9,13H,5-8,10-11,18H2,1-2H3,(H,19,21);2*1H.
What are the key properties of methyl 2-[(4-amino-3-methoxybutanoyl)amino]-5-morpholin-4-ylbenzoate;dihydrochloride?
methyl 2-[(4-amino-3-methoxybutanoyl)amino]-5-morpholin-4-ylbenzoate;dihydrochloride has a molecular weight of 424.33 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-amino-3-methoxybutanoyl)amino]-5-morpholin-4-ylbenzoate;dihydrochloride is sourced from PubChem (CID 120595061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).