Methyl 4-amino-4-morpholin-4-ylbutanoate;dihydrochloride

C9H20Cl2N2O3 — CID 22069125

IUPACmethyl 4-amino-4-morpholin-4-ylbutanoate;dihydrochloride
SMILESCOC(=O)CCC(N)N1CCOCC1.Cl.Cl
InChIInChI=1S/C9H18N2O3.2ClH/c1-13-9(12)3-2-8(10)11-4-6-14-7-5-11;;/h8H,2-7,10H2,1H3;2*1H
InChIKeyAVIUZYJZPPCRSN-UHFFFAOYSA-N
MW275.17 g/mol
LogP—
Rot. Bonds5

About Methyl 4-amino-4-morpholin-4-ylbutanoate;dihydrochloride

Methyl 4-amino-4-morpholin-4-ylbutanoate;dihydrochloride (PubChem CID 22069125) has the molecular formula C9H20Cl2N2O3 and a molecular weight of 275.17 g/mol. Its IUPAC name is methyl 4-amino-4-morpholin-4-ylbutanoate;dihydrochloride.

Molecular Properties

Compound NameMethyl 4-amino-4-morpholin-4-ylbutanoate;dihydrochloride
PubChem CID22069125
Molecular FormulaC9H20Cl2N2O3
Molecular Weight275.17 g/mol
Exact Mass274.09
IUPAC Namemethyl 4-amino-4-morpholin-4-ylbutanoate;dihydrochloride
SMILESCOC(=O)CCC(N)N1CCOCC1.Cl.Cl
InChIInChI=1S/C9H18N2O3.2ClH/c1-13-9(12)3-2-8(10)11-4-6-14-7-5-11;;/h8H,2-7,10H2,1H3;2*1H
InChIKeyAVIUZYJZPPCRSN-UHFFFAOYSA-N
XLogP—
TPSA64.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity181

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze Methyl 4-amino-4-morpholin-4-ylbutanoate;dihydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of Methyl 4-amino-4-morpholin-4-ylbutanoate;dihydrochloride?
The IUPAC name of Methyl 4-amino-4-morpholin-4-ylbutanoate;dihydrochloride (CID 22069125) is methyl 4-amino-4-morpholin-4-ylbutanoate;dihydrochloride.
What is the SMILES notation for Methyl 4-amino-4-morpholin-4-ylbutanoate;dihydrochloride?
The canonical SMILES for Methyl 4-amino-4-morpholin-4-ylbutanoate;dihydrochloride is COC(=O)CCC(N)N1CCOCC1.Cl.Cl.
What is the InChIKey of Methyl 4-amino-4-morpholin-4-ylbutanoate;dihydrochloride?
The InChIKey is AVIUZYJZPPCRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3.2ClH/c1-13-9(12)3-2-8(10)11-4-6-14-7-5-11;;/h8H,2-7,10H2,1H3;2*1H.
What are the key properties of Methyl 4-amino-4-morpholin-4-ylbutanoate;dihydrochloride?
Methyl 4-amino-4-morpholin-4-ylbutanoate;dihydrochloride has a molecular weight of 275.17 g/mol, XLogP of not available, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Methyl 4-amino-4-morpholin-4-ylbutanoate;dihydrochloride is sourced from PubChem (CID 22069125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).